Summary

IMPPAT Phytochemical identifier: IMPHY004848

Phytochemical name: Crinasiadine

Synonymous chemical names:
crinasiadine

External chemical identifiers:
CID:442850, ChEBI:3915

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Chemical structure information

SMILES:
O=c1[nH]c2ccccc2c2c1cc1OCOc1c2

InChI:
InChI=1S/C14H9NO3/c16-14-10-6-13-12(17-7-18-13)5-9(10)8-3-1-2-4-11(8)15-14/h1-6H,7H2,(H,15,16)

InChIKey:
NVOXRHIABFKYOT-UHFFFAOYSA-N

DeepSMILES:
O=c[nH]cccccc6cc%10ccOCOc5c9

Functional groups:
c1cOCO1, c=O, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]c2ccccc2c2cc3c(cc12)OCO3

Scaffold Graph/Node level:
OC1NC2CCCCC2C2CC3OCOC3CC12

Scaffold Graph level:
CC1CC2CCCCC2C2CC3CCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Amaryllidaceae alkaloids

ClassyFire Subclass: Phenanthridine- and phenanthridone-type amaryllidaceae alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP-Likeness score: 0.122

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Chemical structure download