Summary

IMPPAT Phytochemical identifier: IMPHY004783

Phytochemical name: Molludistin

Synonymous chemical names:
8-c-alpha-l-arabinopyranosylgenkwanin(molludistin), molludistin

External chemical identifiers:
CID:44258315

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1[C@@H]1OC[C@@H]([C@@H](C1O)O)O)oc(cc2=O)c1ccc(cc1)O

InChI:
InChI=1S/C21H20O9/c1-28-15-7-12(24)16-11(23)6-14(9-2-4-10(22)5-3-9)30-20(16)17(15)21-19(27)18(26)13(25)8-29-21/h2-7,13,18-19,21-22,24-27H,8H2,1H3/t13-,18-,19?,21-/m0/s1

InChIKey:
SENMWXPDXHHPBM-MUUDIHSKSA-N

DeepSMILES:
COcccO)ccc6[C@@H]OC[C@@H][C@@H]C6O))O))O))))))occc6=O)))cccccc6))O

Functional groups:
CO, COC, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c(C3CCCCO3)cccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCCC2C1CCCCO1

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCCC2C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.892

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Chemical structure download