Summary

IMPPAT Phytochemical identifier: IMPHY012382

Phytochemical name: alpha-Kosin

Synonymous chemical names:
alpha-kosin, kosin, alpha, α-kosin

External chemical identifiers:
CID:160529, ChEBI:10285, SureChEMBL:SCHEMBL4742767

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Chemical structure information

SMILES:
COc1c(C)c(O)c(c(c1C(=O)C(C)C)O)Cc1c(O)c(C)c(c(c1O)C(=O)C(C)C)OC

InChI:
InChI=1S/C25H32O8/c1-10(2)18(26)16-22(30)14(20(28)12(5)24(16)32-7)9-15-21(29)13(6)25(33-8)17(23(15)31)19(27)11(3)4/h10-11,28-31H,9H2,1-8H3

InChIKey:
KPKGKOASFCAMGD-UHFFFAOYSA-N

DeepSMILES:
COccC)cO)ccc6C=O)CC)C))))O))CccO)cC)ccc6O))C=O)CC)C))))OC

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Diphenylmethanes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Dimeric phloroglucinols

NP-Likeness score: 0.894

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Chemical structure download