Summary

IMPPAT Phytochemical identifier: IMPHY010127

Phytochemical name: Voaphylline hydroxyindolenine

Synonymous chemical names:
voaphylline hydroxyindolenine, voaphylline-hydroxyindolenine

External chemical identifiers:
CID:13783711

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Chemical structure information

SMILES:
CC[C@]12CCC3=Nc4c([C@@]3(CCN(C1)C[C@@H]1[C@H]2O1)O)cccc4

InChI:
InChI=1S/C19H24N2O2/c1-2-18-8-7-16-19(22,13-5-3-4-6-14(13)20-16)9-10-21(12-18)11-15-17(18)23-15/h3-6,15,17,22H,2,7-12H2,1H3/t15-,17-,18+,19-/m1/s1

InChIKey:
ZTCJOOIYHFZAQO-OQIJWPOYSA-N

DeepSMILES:
CC[C@]CCC=Ncc[C@@]5CCNC%12)C[C@@H][C@H]%14O3)))))))O))cccc6

Functional groups:
CN(C)C, CO, C[C@H]1O[C@H]1C, cN=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)N=C1CCC3CN(CCC12)CC1OC31

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCC3CN(CCC12)CC1OC31

Scaffold Graph level:
C1CCC2C(C1)CC1CCC3CC(CCC12)CC1CC31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Aspidosperma type

NP-Likeness score: 1.808

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Chemical structure download