Summary

IMPPAT Phytochemical identifier: IMPHY006019

Phytochemical name: 1,5-Dihydroxy-2-methoxyxanthone

Synonymous chemical names:
1,5-dihydroxy-2-methoxyxanthone

External chemical identifiers:
CID:5377509, ZINC:ZINC000014821894

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Chemical structure information

SMILES:
COc1ccc2c(c1O)c(=O)c1c(o2)c(O)ccc1

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

InChIKey:
IWDZOJJDTFMEHP-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))c=O)cco6)cO)ccc6

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: 1.287

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Chemical structure download