Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006098

Phytochemical name: Vindolininol

Synonymous chemical names:
vindolininol

External chemical identifiers:
CID:CID_177585085

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Chemical structure information

SMILES:
OC[C@@H]1C[C@]23[C@H]([C@@]41Nc1c([C@@]54[C@H]3N(CC5)CC=C2)cccc1)C

InChI:
InChI=1S/C20H24N2O/c1-13-18-7-4-9-22-10-8-19(17(18)22)15-5-2-3-6-16(15)21-20(13,19)14(11-18)12-23/h2-7,13-14,17,21,23H,8-12H2,1H3/t13-,14+,17+,18+,19-,20+/m1/s1

InChIKey:
GDTCUJQHGGXGJM-PBOOBJRZSA-N

DeepSMILES:
OC[C@@H]C[C@@][C@H][C@]5Ncc[C@]5[C@H]8NCC5))CC=C%12))))))cccc6))))))))C

Functional groups:
CO, cNC, CN(C)C, CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCC4(C2)Nc2ccccc2C42CCN(C1)C32

Scaffold Graph/Node level:
C1CCC2C(C1)NC13CCC4(CCCN5CCC21C54)C3

Scaffold Graph level:
C1CCC2C(C1)CC13CCC4(CCCC5CCC21C54)C3

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Chemical classification

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Aspidosperma type

NP-Likeness score: 2.53

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Chemical structure download