Summary

IMPPAT Phytochemical identifier: IMPHY007164

Phytochemical name: Perivine

Synonymous chemical names:
perivine

External chemical identifiers:
CID:6473766, ChEMBL:CHEMBL521377, ZINC:ZINC000033849103, FDASRS:G388O8884F

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Chemical structure information

SMILES:
COC(=O)[C@@H]1[C@H]2NC/C(=C/C)/[C@@H]1CC(=O)c1c(C2)c2ccccc2[nH]1

InChI:
InChI=1S/C20H22N2O3/c1-3-11-10-21-16-8-14-12-6-4-5-7-15(12)22-19(14)17(23)9-13(11)18(16)20(24)25-2/h3-7,13,16,18,21-22H,8-10H2,1-2H3/b11-3-/t13-,16-,18-/m0/s1

InChIKey:
NKTORRNHKYVXSU-XXMLWKDOSA-N

DeepSMILES:
COC=O)[C@@H][C@H]NC/C=C/C))/[C@@H]6CC=O)ccC%10)cccccc6[nH]9

Functional groups:
C/C=C(/C)C, CNC, COC(C)=O, cC(C)=O, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CNC2Cc3c([nH]c4ccccc34)C(=O)CC1C2

Scaffold Graph/Node level:
CC1CNC2CC1CC(O)C1NC3CCCCC3C1C2

Scaffold Graph level:
CC1CCC2CC1CC(C)C1CC3CCCCC3C1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Vobasan alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.694

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Chemical structure download