Summary

IMPPAT Phytochemical identifier: IMPHY008498

Phytochemical name: Garcinone A

Synonymous chemical names:
garcinone a

External chemical identifiers:
CID:70689919, ChEMBL:CHEMBL2029703, ChEBI:175006, ZINC:ZINC000015252157

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Chemical structure information

SMILES:
CC(=CCc1c(O)c(CC=C(C)C)c(c2c1oc1cc(O)ccc1c2=O)O)C

InChI:
InChI=1S/C23H24O5/c1-12(2)5-8-16-20(25)17(9-6-13(3)4)23-19(22(16)27)21(26)15-10-7-14(24)11-18(15)28-23/h5-7,10-11,24-25,27H,8-9H2,1-4H3

InChIKey:
HHHZYUKPVCUMDR-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cCC=CC)C))))ccc6occcO)ccc6c%10=O)))))))))))O)))))))C

Functional groups:
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: 1.738

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Chemical structure download