Summary

IMPPAT Phytochemical identifier: IMPHY004487

Phytochemical name: Moracin E

Synonymous chemical names:
moracin e

External chemical identifiers:
CID:5319888, ChEMBL:CHEMBL3397311, ChEBI:174943, ZINC:ZINC000014610057

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Chemical structure information

SMILES:
Oc1cc2OC(C)(C)C=Cc2c(c1)c1cc2c(o1)cc(cc2)O

InChI:
InChI=1S/C19H16O4/c1-19(2)6-5-14-15(8-13(21)10-18(14)23-19)17-7-11-3-4-12(20)9-16(11)22-17/h3-10,20-21H,1-2H3

InChIKey:
GDSYWTBPYYYLLE-UHFFFAOYSA-N

DeepSMILES:
OcccOCC)C)C=Cc6cc%10)cccco5)cccc6))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2c(cccc2-c2cc3ccccc3o2)OC1

Scaffold Graph/Node level:
C1CCC2OC(C3CCCC4OCCCC43)CC2C1

Scaffold Graph level:
C1CCC2CC(C3CCCC4CCCCC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: 2-arylbenzofurans

NP-Likeness score: 2.146

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Chemical structure download