Summary

IMPPAT Phytochemical identifier: IMPHY009094

Phytochemical name: Voaphylline

Synonymous chemical names:
voaphylline

External chemical identifiers:
CID:10469868, SureChEMBL:SCHEMBL6240642

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Chemical structure information

SMILES:
CC[C@]12CCc3[nH]c4c(c3CCN(C1)C[C@@H]1[C@H]2O1)cccc4

InChI:
InChI=1S/C19H24N2O/c1-2-19-9-7-16-14(13-5-3-4-6-15(13)20-16)8-10-21(12-19)11-17-18(19)22-17/h3-6,17-18,20H,2,7-12H2,1H3/t17-,18-,19+/m1/s1

InChIKey:
OGDFTQDRHAGLTB-QRVBRYPASA-N

DeepSMILES:
CC[C@]CCc[nH]ccc5CCNC%12)C[C@@H][C@H]%14O3))))))))cccc6

Functional groups:
CN(C)C, C[C@H]1O[C@H]1C, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c3c([nH]c2c1)CCC1CN(CC3)CC2OC12

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: Alkaloids and derivatives

ClassyFire Class: Quebrachamine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Iboga type

NP-Likeness score: 1.247

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Chemical structure download