Natural Product (NP) Details

General Information of the NP (ID: NP7429)
Name
Forskolin
Synonyms
forskolin; Colforsin; 66575-29-9; Coleonol; colforsina; colforsine; colforsinum; Boforsin; Coleonolk; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate; UNII-1F7A44V6OU; HL 362; 7beta-Acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate; L 75 1362B; C22H34O7; 66428-89-5; CHEMBL52606; 1F7A44V6OU; CHEBI:42471; MFCD00082317; NSC375489; NCGC00024996-02; DSSTox_CID_20484; DSSTox_RID_79500; DSSTox_GSID_40484; [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate; 1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-; Colforsine [French]; Colforsinum [Latin]; Colforsina [Spanish]; ForsLean; Colforsin [USAN:INN]; 1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-; FOK; SMR000471881; CAS-66575-29-9; EINECS 266-410-9; NSC 357088; NSC 375489; Forskolin, Coleus forskohlii; Forsklin; Ocufors; forskolin group; Timsaponin-C; forskolin derivatives; Forskolin 20.0%; Colforsin (USAN/INN); forskolin/ rolipram mixture; MolMap_000021; 7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one; SCHEMBL4928; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-Dodecahydro-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyl-1H-naphtho(2,1-b)pyran-1-one 5-acetate; 1H-Naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-; cid_47936; MLS001066384; MLS001333255; MLS001333256; MLS002172462; MLS002695942; Forskolin, analytical standard; Forskohlii Root Extract (ForsLean)(20% forskohlin); REGID_for_CID_47936; GTPL5190; DTXSID8040484; BCBcMAP01_000132; OHCQJHSOBUTRHG-KGGHGJDLSA-; AOB6380; Bio1_000443; Bio1_000932; Bio1_001421; HMS2235C17; HMS3267I16; HMS3412G19; HMS3676G19; ZINC3977779; Tox21_110940; Tox21_302399; BDBM50010261; HL-362; s2449; 7beta-Acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxy-labd-14-en-11-one; AKOS024456384; Tox21_110940_1; ACN-035218; AM81249; CCG-268774; CS-1454; DB02587; LMPR0104030004; SMP1_000128; NCGC00024996-03; NCGC00024996-04; NCGC00024996-05; NCGC00024996-06; NCGC00024996-07; NCGC00024996-34; NCGC00177971-03; NCGC00255526-01; 1H-Naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-; 5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-1-one; AC-33150; AS-17443; HY-15371; L-751362B; F0855; M-410; V0151; Y0448; 7088-EP2280000A1; 7088-EP2284169A1; 7088-EP2287147A2; 7088-EP2287161A1; 7088-EP2287162A1; 7088-EP2287165A2; 7088-EP2287166A2; 7088-EP2292620A2; 7088-EP2295550A2; 7088-EP2301931A1; 7088-EP2301937A1; 7088-EP2308562A2; 7088-EP2311806A2; 7088-EP2371811A2; C09076; D03584; MLS-0318096.0001; S-7769; Q412747; SR-01000597378; Forskolin, For use in molecular biology applications; Q-200888; SR-01000597378-1; BRD-K09602097-001-04-5; Forskolin, from Coleus forskohlii, >=98% (HPLC), powder; Forskolin, United States Pharmacopeia (USP) Reference Standard; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate; [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate; [3R-(3<alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha)]-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one; [3R-(3?,4a?,5?,6?,6a?,10?,10a?,10b?)]-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one; [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-5-(Acetyloxy)-3-e thenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one
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Species Origin Plectranthus barbatus ...     Click to Show/Hide
Plectranthus barbatus
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Lamiales
Family: Lamiaceae
Genus: Plectranthus
Species: Plectranthus barbatus
Disease Solid tumour/cancer [ICD-11: 2A00-2F9Z] Investigative [1]
Structure
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2D MOL

3D MOL

ADMET Property
Absporption
Caco-2 Permeability
 -5.334
 
MDCK Permeability
 -4.996
 
PAMPA
 +++
 
HIA
 - -
 
Distribution
VDss
 0.031
 
PPB
 65%
 
BBB
 - - -
 
Metabolism
CYP1A2 inhibitor
 - - -
CYP1A2 substrate
 - - -
CYP2C19 inhibitor
 - - -
CYP2C19 substrate
 +
CYP2C9 inhibitor
 - - -
CYP2C9 substrate
 - - -
CYP2D6 inhibitor
 - -
CYP2D6 substrate
 - - -
CYP3A4 inhibitor
 ++
CYP3A4 substrate
 - - -
CYP2B6 inhibitor
 - - -
CYP2B6 substrate
 - - -
CYP2C8 inhibitor
 +
HLM Stability
 +++
 
Excretion
CLplasma
 7.438
 
T1/2
 2.061
Toxicity
DILI
 - -
 
Rat Oral Acute Toxicity
 -
 
FDAMDD
 -
 
Respiratory
 ++
 
Human Hepatotoxicity
 -
 
Ototoxicity
 +
 
Drug-induced Nephrotoxicity
 -
 
Drug-induced Neurotoxicity
 - - -
 
Hematotoxicity
 - -
 
Genotoxicity
 +
 
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++). 2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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Formula
C22H34O7
PubChem CID
47936
Canonical SMILES
CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O
InChI
1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
InChIKey
OHCQJHSOBUTRHG-KGGHGJDLSA-N
CAS Number
CAS 66575-29-9
ChEBI ID
CHEBI:42471
Herb ID
HBIN026686
TTD Drug ID
D0V9BP
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Ponatinib      Mantle cell lymphoma     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Phosphorylation BRD4  Molecule Info 
Pathway MAP
Down-regulation Phosphorylation CRKL  Molecule Info 
Pathway MAP
                    In-vitro Model KCL-22 CVCL_2091 Chronic myelogenous leukemia Homo sapiens
K-562 CVCL_0004 Chronic myelogenous leukemia Homo sapiens
HH [Human lymphoma] CVCL_1280 Cutaneous T-cell non-Hodgkin lymphoma Homo sapiens
HEK293 CVCL_0045 Healthy Homo sapiens
Hep-G2 CVCL_0027 Hepatocellular carcinoma Homo sapiens
Human peripheral blood mononuclear cells Healthy Homo sapiens
                    Experimental
                    Result(s)		 A synergistic combination of ponatinib- and forskolin-reduced cell viability was identified in this clinically relevant imatinib-resistant CML cell line, which also proved efficacious in other CML cell lines.
References
Reference 1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
Reference 2 Sensitivity of imatinib-resistant T315I BCR-ABL CML to a synergistic combination of ponatinib and forskolin treatment. Tumour Biol. 2016 Sep;37(9):12643-12654.
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