Natural Product (NP) Details
| General Information of the NP (ID: NP7703) | |||||
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| Name |
Vincamine
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| Synonyms |
vincamine; 1617-90-9; Devincan; Pervincamine; Minorine; Vincamidol; Novicet; Angiopac; Equipur; Monorin; (+)-Vincamine; Methyl vincaminate; Arteriovinca; Anasclerol; Vincasaunier; Decincan; Devinkan; Tripervan; Vincadar; Vincafolina; Vincamin; Vincapront; Vincimax; Vinkametrin; Minorin; UNII-996XVD0JHT; Oxygeron; Pervone; Vincachron; Vincafor; Vincagil; Vincapan; Perval; Vinodrel retard; Ocu-vinc; Vinca-Ecobi; Vinca-Minor; Anasclerol (base); 14,15-Dihydro-14-hydroxyeburnamenine-14-carboxylic acid methyl ester; 996XVD0JHT; CHEBI:9985; MFCD00078054; Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3alpha,14beta,16alpha)-; DSSTox_CID_20134; DSSTox_RID_79448; Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methylester, (3a,14b,16a)-; DSSTox_GSID_40134; Vincamina [DCIT]; Vincaminum; Vincamina; Alkaloid obtained from Vinca minor; Vincaminum [INN-Latin]; methyl 14beta-hydroxy-14,15-dihydro-3alpha,16alpha-eburnamenine-14alpha-carboxylate; Vincamine [INN:BAN:DCF]; Methyl (41S,12S,13aS)-13a-ethyl-12-hydroxy-2,3,41,5,6,12,13,13a-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate; HSDB 7150; EINECS 216-576-3; NSC 91998; (3?,14?,16?)-14,15-Dihydro-14-hydroxyeburnamenine-14-carboxylic acid methyl ester; Vincamine (FP); NCGC00094824-01; Vincamine (INN); Prestwick_495; CAS-1617-90-9; Cetal retard (TN); Vincamine, 98%; Prestwick0_000271; Prestwick1_000271; Prestwick2_000271; Prestwick3_000271; Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3alpha,14beta,16.); BSPBio_000142; GTPL349; MLS002154249; SCHEMBL147179; SPBio_002361; BPBio1_000158; CHEMBL1165342; DTXSID9040134; BCBcMAP01_000080; HMS1568H04; HMS2095H04; HMS2268C20; HMS3712H04; AMY39091; BCP05837; HY-B1021; ZINC1069082; Tox21_111342; Tox21_301968; s3891; AKOS015896471; Tox21_111342_1; CCG-208544; CS-4536; DB13374; EBD2197880; KS-5179; methyl (3alpha,14beta,16alpha)-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate; SMP1_000314; Vincamine, analytical reference material; NCGC00184983-01; NCGC00184983-03; NCGC00255542-01; AC-22625; SMR000112509; C09251; D08677; J10447; 617V909; Q416225; Q-100193; BRD-K40902647-001-03-7; Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-,methyl ester, (3alpha,14beta,16alpha)-; methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.0?,?.0?,??.0??,??]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate; methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.0^{2,7}.0^{8,18}.0^{15,19}]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
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| Species Origin | Vinca minor ... | Click to Show/Hide | |||
| Vinca minor | |||||
| Disease | Cerebrovascular disease [ICD-11: 8B2Z] | Approved | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-5.277
MDCK Permeability
-4.835
PAMPA
-
HIA
- - -
Distribution
VDss
0.451
PPB
81%
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
7.77
T1/2
1.645
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 |
C21H26N2O3
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| PubChem CID | |||||
| Canonical SMILES |
CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O
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| InChI |
1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1
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| InChIKey |
RXPRRQLKFXBCSJ-GIVPXCGWSA-N
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| CAS Number |
CAS 1617-90-9
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| ChEBI ID | |||||
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| TTD Drug ID | |||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Adverse Effect can be Decreased by This NP | ||||||
| Tamoxifen + Zafirlukast | Click to Show/Hide the Molecular Data of This Drug | |||||
| Decreasing Adverse Drug Reaction | 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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| Molecule(s)
Regulation |
Down-regulation | Expression | CASP3 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | ERK1 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | JNK1 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | p105 | Molecule Info |
Pathway MAP
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| In-vivo Model | Adult female Wistar albino rats were used in this study. | |||||
| Experimental
Result(s) |
Zafirlukast and vincamine may be regarded as potential therapeutic strategies with antioxidant and anti-inflammatory activities against tamoxifen-induced oxidative damage in rat liver. | |||||
