Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003991

Phytochemical name: Cycloartomunin

Synonymous chemical names:
cycloartomunin, Cycloartomunin

External chemical identifiers:
CID:CID_10456312

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Chemical structure information

SMILES:
COc1cc2OC(C=C(C)C)c3c(-c2cc1O)oc1c(c3=O)c(O)cc2c1C=CC(O2)(C)C

InChI:
InChI=1S/C26H24O7/c1-12(2)8-20-22-23(29)21-16(28)10-18-13(6-7-26(3,4)33-18)24(21)32-25(22)14-9-15(27)19(30-5)11-17(14)31-20/h6-11,20,27-28H,1-5H3

InChIKey:
WQSBCGFYYIWXHK-UHFFFAOYSA-N

DeepSMILES:
COcccOCC=CC)C)))cc-c6cc%10O))))occc6=O))cO)ccc6C=CCO6)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3c4c(ccc13)OCC=C4)-c1ccccc1OC2

Scaffold Graph/Node level:
OC1C2CCC3OCCCC3C2OC2C3CCCCC3OCC12

Scaffold Graph level:
CC1C2CCC3CCCCC3C2CC2C3CCCCC3CCC12

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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: 2.75

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Chemical structure download