Summary

IMPPAT Phytochemical identifier: IMPHY014374

Phytochemical name: 6alpha-Hydroxycrinine

Synonymous chemical names:
6α-hydroxycrinine

External chemical identifiers:
CID:21723145

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Chemical structure information

SMILES:
O[C@H]1C=C[C@@]23[C@@H](C1)N(CC2)[C@@H](c1c3cc2OCOc2c1)O

InChI:
InChI=1S/C16H17NO4/c18-9-1-2-16-3-4-17(14(16)5-9)15(19)10-6-12-13(7-11(10)16)21-8-20-12/h1-2,6-7,9,14-15,18-19H,3-5,8H2/t9-,14+,15+,16+/m0/s1

InChIKey:
ILMBZGCGIXQNFZ-LDYRWJSCSA-N

DeepSMILES:
O[C@H]C=C[C@@][C@@H]C6)NCC5))[C@@H]cc6ccOCOc5c9)))))))))O

Functional groups:
CC=CC, CO, c1cOCO1, c[C@@H](O)N(C)C

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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

NP-Likeness score: 2.542

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Chemical structure download