Summary

IMPPAT Phytochemical identifier: IMPHY009600

Phytochemical name: Chrycolide

Synonymous chemical names:
chrycolide

External chemical identifiers:
CID:13259263, ChEBI:169131

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Chemical structure information

SMILES:
O=C1OC(c2c1c(O)ccc2)c1cccs1

InChI:
InChI=1S/C12H8O3S/c13-8-4-1-3-7-10(8)12(14)15-11(7)9-5-2-6-16-9/h1-6,11,13H

InChIKey:
CLGIBOHWUJNNKL-UHFFFAOYSA-N

DeepSMILES:
O=COCcc5cO)ccc6))))))ccccs5

Functional groups:
cC(=O)OC, cO, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC(c2cccs2)c2ccccc21

Scaffold Graph/Node level:
OC1OC(C2CCCS2)C2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC2)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

ClassyFire Subclass: Benzofuranones

NP-Likeness score: 0.162

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Chemical structure download