Summary

IMPPAT Phytochemical identifier: IMPHY014347

Phytochemical name: 13-alpha-Hydroxymultiflorine

Synonymous chemical names:
13α-hydroxy multiflorine

External chemical identifiers:
CID:15939900, ZINC:ZINC000034773583

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Chemical structure information

SMILES:
O[C@H]1CCN2[C@@H](C1)[C@H]1C[C@@H](C2)[C@@H]2N(C1)C=CC(=O)C2

InChI:
InChI=1S/C15H22N2O2/c18-12-1-3-16-8-10-5-11(14(16)6-12)9-17-4-2-13(19)7-15(10)17/h1,3,10-11,13-15,19H,2,4-9H2/t10-,11-,13-,14+,15-/m0/s1

InChIKey:
WADQXAAHRPKPQW-RCZQDCHWSA-N

DeepSMILES:
O[C@H]CCN[C@@H]C6)[C@H]C[C@@H]C6)[C@@H]NC6)C=CC=O)C6

Functional groups:
CN(C)C, CN1C=CC(=O)CC1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CN2CC3CC(CN4CCCCC34)C2C1

Scaffold Graph/Node level:
OC1CCN2CC3CC(CN4CCCCC34)C2C1

Scaffold Graph level:
CC1CCC2CC3CC(CC4CCCCC43)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 2.047

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Chemical structure download