Summary

IMPPAT Phytochemical identifier: IMPHY009331

Phytochemical name: Oxyavicine

Synonymous chemical names:
oxyavicine

External chemical identifiers:
CID:12313849, ZINC:ZINC000013458939

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Chemical structure information

SMILES:
Cn1c(=O)c2cc3OCOc3cc2c2c1c1cc3OCOc3cc1cc2

InChI:
InChI=1S/C20H13NO5/c1-21-19-11(3-2-10-4-15-16(5-12(10)19)24-8-23-15)13-6-17-18(26-9-25-17)7-14(13)20(21)22/h2-7H,8-9H2,1H3

InChIKey:
NAFSMPFYCYCHSJ-UHFFFAOYSA-N

DeepSMILES:
Cnc=O)cccOCOc5cc9cc%13cccOCOc5cc9cc%13

Functional groups:
c1cOCO1, c=O, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]c2c3cc4c(cc3ccc2c2cc3c(cc12)OCO3)OCO4

Scaffold Graph/Node level:
OC1NC2C3CC4OCOC4CC3CCC2C2CC3OCOC3CC12

Scaffold Graph level:
CC1CC2C3CC4CCCC4CC3CCC2C2CC3CCCC3CC12

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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: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 0.423

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Chemical structure download