Summary

IMPPAT Phytochemical identifier: IMPHY003074

Phytochemical name: 8-Desoxygartanin

Synonymous chemical names:
8-deoxygartanin, 8-desoxygartanin

External chemical identifiers:
CID:392450, ChEMBL:CHEMBL488606, ChEBI:175007, ZINC:ZINC000005849312, SureChEMBL:SCHEMBL17056909, MolPort-039-052-631

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Chemical structure information

SMILES:
CC(=CCc1c(O)c(CC=C(C)C)c(c2c1oc1c(O)cccc1c2=O)O)C

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

InChIKey:
GVQOVMKBYJKZSY-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cCC=CC)C))))ccc6occO)cccc6c%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: 1.846

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Chemical structure download