Summary

IMPPAT Phytochemical identifier: IMPHY012881

Phytochemical name: Dichomine

Synonymous chemical names:
dichomine

External chemical identifiers:
CID:5491776

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Chemical structure information

SMILES:
CC[C@]12C[C@H]3CCC4(O1)C1([C@H]2N(C3)CC1)c1c(N4)cccc1

InChI:
InChI=1S/C19H24N2O/c1-2-17-11-13-7-8-19(22-17)18(9-10-21(12-13)16(17)18)14-5-3-4-6-15(14)20-19/h3-6,13,16,20H,2,7-12H2,1H3/t13-,16+,17-,18?,19?/m1/s1

InChIKey:
ROTSJIPMINPZNV-PQRBBVGTSA-N

DeepSMILES:
CC[C@]C[C@H]CCCO7)C[C@H]8NC8)CC5))))ccN5)cccc6

Functional groups:
CN(C)C, cNC(C)(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)NC13CCC4CC(O1)C1N(CCC213)C4

Scaffold Graph/Node level:
C1CCC2C(C1)NC13CCC4CC(O1)C1N(CCC213)C4

Scaffold Graph level:
C1CCC2C(C1)CC13CCC4CC5CCC21C5C(C4)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Aspidosperma type

NP-Likeness score: 1.409

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Chemical structure download