Summary

IMPPAT Phytochemical identifier: IMPHY008469

Phytochemical name: Isosilychristin

Synonymous chemical names:
isosilychristin

External chemical identifiers:
CID:14849116, ChEBI:176166

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Chemical structure information

SMILES:
OCC1c2c(ccc(c2OC1c1ccc(c(c1)OC)O)O)C1Oc2cc(O)cc(c2C(=O)C1O)O

InChI:
InChI=1S/C25H22O10/c1-33-17-6-10(2-4-14(17)28)23-13(9-26)19-12(3-5-15(29)25(19)35-23)24-22(32)21(31)20-16(30)7-11(27)8-18(20)34-24/h2-8,13,22-24,26-30,32H,9H2,1H3

InChIKey:
QYCJAWYDGRZSTO-UHFFFAOYSA-N

DeepSMILES:
OCCcccccc6OC9cccccc6)OC)))O))))))))O))))COcccO)ccc6C=O)C%10O))))O

Functional groups:
CO, cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2cccc3c2CC(c2ccccc2)O3)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCC3OC(C4CCCCC4)CC32)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC3CC(C4CCCCC4)CC32)CC2CCCCC12

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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: Lignans, Flavonoids

NP Classifier Class: Dihydroflavonols, Flavonolignans

NP-Likeness score: 2.069

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Chemical structure download