Summary

IMPPAT Phytochemical identifier: IMPHY001232

Phytochemical name: Cycloartobiloxanthone

Synonymous chemical names:
cycloartobiloxanthone

External chemical identifiers:
CID:10342859, ChEMBL:CHEMBL516519, ChEBI:169869

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Chemical structure information

SMILES:
Oc1cc(O)c2c3c1-c1oc4c5C=CC(Oc5cc(c4c(=O)c1CC3C(O2)(C)C)O)(C)C

InChI:
InChI=1S/C25H22O7/c1-24(2)6-5-10-16(31-24)9-14(27)19-20(29)11-7-12-17-18(22(11)30-21(10)19)13(26)8-15(28)23(17)32-25(12,3)4/h5-6,8-9,12,26-28H,7H2,1-4H3

InChIKey:
OCZFLOUWXXGBPC-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6-coccC=CCOc6ccc%10c=O)c%14CC%18CO%21)C)C)))))))O)))))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3c4c(ccc13)OCC=C4)-c1cccc3c1C(CO3)C2

Scaffold Graph/Node level:
OC1C2CCC3OCCCC3C2OC2C1CC1COC3CCCC2C13

Scaffold Graph level:
CC1C2CCC3CCCCC3C2CC2C1CC1CCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.99

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Chemical structure download