Summary

IMPPAT Phytochemical identifier: IMPHY000807

Phytochemical name: Vinpocetine

Synonymous chemical names:
vinpocetine

External chemical identifiers:
CID:443955, ChEMBL:CHEMBL71752, ChEBI:32297, ZINC:ZINC000019796031, FDASRS:543512OBTC, SureChEMBL:SCHEMBL50081, MolPort-003-666-450

---

Chemical structure information

SMILES:
CCOC(=O)C1=C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3

InChI:
InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1

InChIKey:
DDNCQMVWWZOMLN-IRLDBZIGSA-N

DeepSMILES:
CCOC=O)C=C[C@]CC))CCCN[C@@H]6cn%10cccccc6c9CC%13

Functional groups:
CN(C)C, cn(c)C(=CC)C(=O)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cn2c3c(c4ccccc42)CCN2CCCC1C32

Scaffold Graph/Node level:
C1CCC2C(C1)C1CCN3CCCC4CCN2C1C43

Scaffold Graph level:
C1CC2CCC3C4CCCCC4C4CCC(C1)C2C34

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Eburnan-type alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Aspidosperma type

NP-Likeness score: 0.652

---

Chemical structure download