Summary

IMPPAT Phytochemical identifier: IMPHY004747

Phytochemical name: cycloartocarpin A

Synonymous chemical names:
cycloartocarpin a

External chemical identifiers:
CID:44258302, ChEMBL:CHEMBL463093

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Chemical structure information

SMILES:
COc1ccc2-c3oc4cc(O)c(c(c4c(=O)c3C(Oc2c1)C=C(C)C)O)/C=C/C(C)C

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

InChIKey:
FUOITKFXHPXSCA-SOFGYWHQSA-N

DeepSMILES:
COcccc-cocccO)ccc6c=O)c%10COc%14c%18)))C=CC)C)))))))O))/C=C/CC)C

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: 2.018

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Chemical structure download