Summary

IMPPAT Phytochemical identifier: IMPHY008069

Phytochemical name: Erythrinin A

Synonymous chemical names:
erythrinin a

External chemical identifiers:
CID:10381321, ZINC:ZINC000015204107, MolPort-039-338-842

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1coc2c(c1=O)cc1c(c2)OC(C=C1)(C)C

InChI:
InChI=1S/C20H16O4/c1-20(2)8-7-13-9-15-18(10-17(13)24-20)23-11-16(19(15)22)12-3-5-14(21)6-4-12/h3-11,21H,1-2H3

InChIKey:
GGGQCONNJCHXIR-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccoccc6=O))cccc6)OCC=C6))C)C

Functional groups:
c=O, cC=CC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2cc3c(cc12)C=CCO3

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CC3OCCCC3CC21

Scaffold Graph level:
CC1C(C2CCCCC2)CCC2CC3CCCCC3CC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones, Isoflavones

NP-Likeness score: 1.83

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Chemical structure download