Summary

IMPPAT Phytochemical identifier: IMPHY009251

Phytochemical name: 5,8-Dihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one

Synonymous chemical names:
osajaxanthone

External chemical identifiers:
CID:6064803, ChEMBL:CHEMBL3314602, ZINC:ZINC000006257486

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Chemical structure information

SMILES:
Oc1ccc2c(c1)c(=O)c1c(o2)cc2c(c1O)C=CC(O2)(C)C

InChI:
InChI=1S/C18H14O5/c1-18(2)6-5-10-13(23-18)8-14-15(16(10)20)17(21)11-7-9(19)3-4-12(11)22-14/h3-8,19-20H,1-2H3

InChIKey:
AQJGDWRSGSISRW-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)c=O)cco6)cccc6O))C=CCO6)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2cc3c(cc12)C=CCO3

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CC3OCCCC3CC21

Scaffold Graph level:
CC1C2CCCCC2CC2CC3CCCCC3CC21

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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: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.392

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Chemical structure download