Summary

IMPPAT Phytochemical identifier: IMPHY007072

Phytochemical name: 13-Hydroxymultiflorine

Synonymous chemical names:
13-hydroxymultiflorone

External chemical identifiers:
CID:85280874

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Chemical structure information

SMILES:
OC1CCN2C(C1)C1CC(C2)C2N(C1)CCC(=O)C2

InChI:
InChI=1S/C15H24N2O2/c18-12-1-3-16-8-10-5-11(14(16)6-12)9-17-4-2-13(19)7-15(10)17/h10-12,14-15,18H,1-9H2

InChIKey:
XSWCLXUQXOJCGT-UHFFFAOYSA-N

DeepSMILES:
OCCCNCC6)CCCC6)CNC6)CCC=O)C6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCN2CC3CC(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: Alkaloids and derivatives

ClassyFire Class: Lupin alkaloids

ClassyFire Subclass: Sparteine, lupanine, and related alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 1.391

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Chemical structure download