Summary

IMPPAT Phytochemical identifier: IMPHY001989

Phytochemical name: Moracin C

Synonymous chemical names:
moracin c

External chemical identifiers:
CID:155248, ChEMBL:CHEMBL2018876, ChEBI:174235, ZINC:ZINC000005158948, MolPort-035-706-137

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc(cc1O)c1cc2c(o1)cc(cc2)O)C

InChI:
InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3

InChIKey:
ZTGHWUWBQNCCOH-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O)))cccco5)cccc6))O)))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2cc3ccccc3o2)cc1

Scaffold Graph/Node level:
C1CCC(C2CC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CC3CCCCC3C2)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: 1.608

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Chemical structure download