Summary

IMPPAT Phytochemical identifier: IMPHY005464

Phytochemical name: Morusin

Synonymous chemical names:
morusin, mulberrochromene

External chemical identifiers:
CID:5281671, ChEMBL:CHEMBL464006, ChEBI:7005, ZINC:ZINC000005195808, FDASRS:T4VGD5NP9B, SureChEMBL:SCHEMBL2562778, MolPort-001-741-197

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Chemical structure information

SMILES:
CC(=CCc1c(oc2c(c1=O)c(O)cc1c2C=CC(O1)(C)C)c1ccc(cc1O)O)C

InChI:
InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3

InChIKey:
XFFOMNJIDRDDLQ-UHFFFAOYSA-N

DeepSMILES:
CC=CCccoccc6=O))cO)ccc6C=CCO6)C)C)))))))))))cccccc6O)))O)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c3c(ccc12)OCC=C3

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCC1OCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.627

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Chemical structure download