Summary

IMPPAT Phytochemical identifier: IMPHY009931

Phytochemical name: Haemanthamine

Synonymous chemical names:
haemanthamin, haemanthamine, hemanthamine

External chemical identifiers:
CID:441593, ChEMBL:CHEMBL401114, ChEBI:5600, ZINC:ZINC000002004156, SureChEMBL:SCHEMBL19915195

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Chemical structure information

SMILES:
CO[C@@H]1C=C[C@]23[C@H](C1)N(C[C@@H]2O)Cc1c3cc2OCOc2c1

InChI:
InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1

InChIKey:
YGPRSGKVLATIHT-HSHDSVGOSA-N

DeepSMILES:
CO[C@@H]C=C[C@][C@H]C6)NC[C@@H]5O)))Ccc6ccOCOc5c9

Functional groups:
CC=CC, CN(C)C, CO, COC, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCN(Cc4cc5c(cc42)OCO5)C3CC1

Scaffold Graph/Node level:
C1CCC23CCN(CC4CC5OCOC5CC42)C3C1

Scaffold Graph level:
C1CC2CC3CC4CCC5(CCCCC45)C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Amaryllidaceae alkaloids

ClassyFire Subclass: Crinine- and haemanthamine-type amaryllidaceae alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids, Isoquinoline alkaloids

NP-Likeness score: 2.577

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Chemical structure download