Summary

IMPPAT Phytochemical identifier: IMPHY004384

Phytochemical name: Moracin G

Synonymous chemical names:
moracin g

External chemical identifiers:
CID:5319890, ChEMBL:CHEMBL3397394, ChEBI:174944, ZINC:ZINC000014610061

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Chemical structure information

SMILES:
CC1=CCc2c(OC1)ccc1c2oc(c1)c1cc(O)cc(c1)O

InChI:
InChI=1S/C19H16O4/c1-11-2-4-16-17(22-10-11)5-3-12-8-18(23-19(12)16)13-6-14(20)9-15(21)7-13/h2-3,5-9,20-21H,4,10H2,1H3

InChIKey:
PRQYZCKJWCQXNM-UHFFFAOYSA-N

DeepSMILES:
CC=CCccOC7))cccc6occ5)cccO)ccc6)O

Functional groups:
CC=C(C)C, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCc2c(ccc3cc(-c4ccccc4)oc23)OC1

Scaffold Graph/Node level:
C1CCC(C2CC3CCC4OCCCCC4C3O2)CC1

Scaffold Graph level:
C1CCC(C2CC3CCC4CCCCCC4C3C2)CC1

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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: 1.455

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Chemical structure download