Summary

IMPPAT Phytochemical identifier: IMPHY005873

Phytochemical name: Buchanaxanthone

Synonymous chemical names:
1,6-dihydroxy-5-methoxyxanthone

External chemical identifiers:
CID:5481840

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Chemical structure information

SMILES:
COc1c(O)ccc2c1oc1cccc(c1c2=O)O

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

InChIKey:
VTZRTHPAURPVRE-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6occcccc6c%10=O)))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: 1.4

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Chemical structure download