Summary

IMPPAT Phytochemical identifier: IMPHY014469

Phytochemical name: 2,7-Dihydroxy-3-methoxy-9H-xanthen-9-one

Synonymous chemical names:
2,7-dihydroxy-3-methoxyxanthone

External chemical identifiers:
CID:71410614

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Chemical structure information

SMILES:
COc1cc2oc3ccc(cc3c(=O)c2cc1O)O

InChI:
InChI=1S/C14H10O5/c1-18-13-6-12-9(5-10(13)16)14(17)8-4-7(15)2-3-11(8)19-12/h2-6,15-16H,1H3

InChIKey:
YFBCFQLGUWVEOQ-UHFFFAOYSA-N

DeepSMILES:
COcccocccccc6c=O)c%10cc%14O)))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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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: 0.989

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Chemical structure download