Summary

IMPPAT Phytochemical identifier: IMPHY006483

Phytochemical name: Moracin D

Synonymous chemical names:
moracin d

External chemical identifiers:
CID:641378, ChEMBL:CHEMBL463241, ChEBI:174942, ZINC:ZINC000014610053, SureChEMBL:SCHEMBL6822795, MolPort-039-338-369

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc(c2)c1cc(O)c2c(c1)OC(C=C2)(C)C

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

InChIKey:
CHAAQDMHLLQJRO-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occ5)cccO)ccc6)OCC=C6))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccc(-c3cc4ccccc4o3)cc2OC1

Scaffold Graph/Node level:
C1COC2CC(C3CC4CCCCC4O3)CCC2C1

Scaffold Graph level:
C1CCC2CC(C3CC4CCCCC4C3)CCC2C1

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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: 2.171

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Chemical structure download