Summary

IMPPAT Phytochemical identifier: IMPHY005857

Phytochemical name: Garcinone D

Synonymous chemical names:
garcinone d

External chemical identifiers:
CID:5495926, ChEMBL:CHEMBL462879, ZINC:ZINC000014727633, MolPort-039-142-002

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Chemical structure information

SMILES:
COc1c(O)cc2c(c1CCC(O)(C)C)c(=O)c1c(o2)cc(c(c1O)CC=C(C)C)O

InChI:
InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3

InChIKey:
TYALNCRUIKOKGP-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6CCCO)C)C)))))c=O)cco6)cccc6O))CC=CC)C)))))O

Functional groups:
CC=C(C)C, CO, 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: 2.169

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Chemical structure download