Natural Product (NP) Details
| General Information of the NP (ID: NP7644) | |||||
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| Name |
Tephrosin
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| Synonyms |
Tephrosin; hydroxydeguelin; 76-80-2; deguelinol I; UNII-9C081V83CC; CHEBI:9442; 9C081V83CC; (1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one; CCRIS 7115; (?)-Tephrosin; (-)-TEPHROSIN; SCHEMBL766277; CHEMBL241806; MEGxp0_001258; DTXSID20878627; HY-N1166; ZINC4098748; BDBM50505206; LMPK12060047; Tephrosin, >=95% (LC/MS-ELSD); MCULE-5773910433; NCGC00347726-02!; CS-0016457; C10535; Q7701343; (7aR,13aR)-13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one; (7aR,13aR)-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one; 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-, (7aR,13aR)-; 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-, (7aR-cis)-
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| Species Origin | Tephrosia vogelii ... | Click to Show/Hide | |||
| Tephrosia vogelii | |||||
| Disease | Pancreatic cancer [ICD-11: 2C10] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-4.939
MDCK Permeability
-4.742
PAMPA
- -
HIA
- - -
Distribution
VDss
0.274
PPB
95.9%
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
8.554
T1/2
2.22
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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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C23H22O7
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| PubChem CID | |||||
| Canonical SMILES |
CC1(C=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC)C
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| InChI |
1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
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| InChIKey |
AQBZCCQCDWNNJQ-AUSIDOKSSA-N
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| CAS Number |
CAS 76-80-2
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| ChEBI ID | |||||
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| SymMap ID | |||||
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
| 2-deoxy-D-glucose | Solid tumour/cancer | 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
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| In-vitro Model | HeLa | CVCL_0030 | Endocervical adenocarcinoma | Homo sapiens | ||
| HT-29 | CVCL_0320 | Colon adenocarcinoma | Homo sapiens | |||
| SW620 | CVCL_0547 | Colon adenocarcinoma | Homo sapiens | |||
| A-549 | CVCL_0023 | Lung adenocarcinoma | Homo sapiens | |||
| Experimental
Result(s) |
The combination of TSN and 2-DG increased the sensitivity of cancer cells to 2-DG. | |||||
