Summary

IMPPAT Phytochemical identifier: IMPHY002131

Phytochemical name: Alvaxanthone

Synonymous chemical names:
alvaxanthone

External chemical identifiers:
CID:12305823, ChEMBL:CHEMBL478937, ZINC:ZINC000013312346

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Chemical structure information

SMILES:
C=CC(c1c(O)cc2c(c1O)c(=O)c1c(o2)c(O)c(cc1CC=C(C)C)O)(C)C

InChI:
InChI=1S/C23H24O6/c1-6-23(4,5)18-13(24)10-15-17(21(18)28)20(27)16-12(8-7-11(2)3)9-14(25)19(26)22(16)29-15/h6-7,9-10,24-26,28H,1,8H2,2-5H3

InChIKey:
IXUNODGMZUQIQP-UHFFFAOYSA-N

DeepSMILES:
C=CCccO)cccc6O))c=O)cco6)cO)ccc6CC=CC)C))))))O)))))))))))C)C

Functional groups:
C=CC, CC=C(C)C, c=O, cO, 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: 2.5

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Chemical structure download