Summary

IMPPAT Phytochemical identifier: IMPHY002509

Phytochemical name: Arctinol A

Synonymous chemical names:
arctinol a

External chemical identifiers:
CID:13939273, FDASRS:10Q5L8L64K

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Chemical structure information

SMILES:
CC#Cc1ccc(s1)c1ccc(s1)CO

InChI:
InChI=1S/C12H10OS2/c1-2-3-9-4-6-11(14-9)12-7-5-10(8-13)15-12/h4-7,13H,8H2,1H3

InChIKey:
APCVAJQBZZMWEY-UHFFFAOYSA-N

DeepSMILES:
CC#Cccccs5)ccccs5)CO

Functional groups:
CO, cC#CC, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1csc(-c2cccs2)c1

Scaffold Graph/Node level:
C1CSC(C2CCCS2)C1

Scaffold Graph level:
C1CCC(C2CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Bi- and oligothiophenes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.076

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Chemical structure download