Summary

IMPPAT Phytochemical identifier: IMPHY013855

Phytochemical name: Cephalotaxine,11-hydroxy

Synonymous chemical names:
alkaloid b

External chemical identifiers:
CID:98477

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Chemical structure information

SMILES:
COC1=CC23C(C1O)c1cc4OCOc4cc1C(CN3CCC2)O

InChI:
InChI=1S/C18H21NO5/c1-22-15-7-18-3-2-4-19(18)8-12(20)10-5-13-14(24-9-23-13)6-11(10)16(18)17(15)21/h5-7,12,16-17,20-21H,2-4,8-9H2,1H3

InChIKey:
SZCHXNLVRKQEGO-UHFFFAOYSA-N

DeepSMILES:
COC=CCCC5O))cccOCOc5cc9CCN%14CCC%17)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4

Scaffold Graph/Node level:
C1CC2C3CC4OCOC4CC3CCN3CCCC23C1

Scaffold Graph level:
C1CC2CC3CCC4CCCC45CCCC5C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Cephalotaxus alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Cephalotaxus alkaloids

NP-Likeness score: 2.137

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Chemical structure download