Summary

IMPPAT Phytochemical identifier: IMPHY006382

Phytochemical name: 3,8-dihydroxy-10-methoxy-9-[(E)-3-methylbut-1-enyl]-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one

Synonymous chemical names:
cycloartocarpin

External chemical identifiers:
CID:5458462, ChEMBL:CHEMBL525350, ChEBI:172674

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Chemical structure information

SMILES:
COc1cc2oc3-c4ccc(cc4OC(c3c(=O)c2c(c1/C=C/C(C)C)O)C=C(C)C)O

InChI:
InChI=1S/C26H26O6/c1-13(2)6-8-16-18(30-5)12-21-22(24(16)28)25(29)23-20(10-14(3)4)31-19-11-15(27)7-9-17(19)26(23)32-21/h6-13,20,27-28H,1-5H3/b8-6+

InChIKey:
FWIXOUMETCCFPO-SOFGYWHQSA-N

DeepSMILES:
COcccoc-cccccc6OCc%10c=O)c%14cc%18/C=C/CC)C)))))O)))))C=CC)C)))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3ccccc13)-c1ccccc1OC2

Scaffold Graph/Node level:
OC1C2CCCCC2OC2C3CCCCC3OCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.192

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Chemical structure download