Summary

IMPPAT Phytochemical identifier: IMPHY011472

Phytochemical name: gamma-Mangostin

Synonymous chemical names:
1,3,6,7-tetra-oh-2,8-bis(3-me-2-butenyl)-9h-xanthen-9-one, gamma-mangostin, normangostin, y-mangostin

External chemical identifiers:
CID:5464078, ChEMBL:CHEMBL260553, ChEBI:67548, ZINC:ZINC000005195818, FDASRS:G7HS6P8ZEC, SureChEMBL:SCHEMBL3753526, MolPort-019-937-259

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc2c(c1O)c(=O)c1c(o2)cc(c(c1CC=C(C)C)O)O)C

InChI:
InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3

InChIKey:
VEZXFTKZUMARDU-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O))c=O)cco6)cccc6CC=CC)C)))))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: 1.839

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Chemical structure download