Summary

IMPPAT Phytochemical identifier: IMPHY007103

Phytochemical name: Mangostinone

Synonymous chemical names:
mangostinone

External chemical identifiers:
CID:6478778, ChEMBL:CHEMBL481310, ChEBI:175012

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Chemical structure information

SMILES:
C/C(=CCc1c(O)cc2c(c1O)c(=O)c1c(o2)c(O)ccc1)/CCC=C(C)C

InChI:
InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19-20(21(15)26)22(27)16-8-5-9-17(24)23(16)28-19/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10+

InChIKey:
RJLWIAOXQDZMTB-GXDHUFHOSA-N

DeepSMILES:
C/C=CCccO)cccc6O))c=O)cco6)cO)ccc6))))))))))))))/CCC=CC)C

Functional groups:
C/C=C(/C)C, 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: 2.17

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Chemical structure download