Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002523

Phytochemical name: Mintsulfide

Synonymous chemical names:
mintsulphide, mint sulpfide, mintsulfide, mint sulphide, mint sulfide, Mintsulfide

External chemical identifiers:
CID:CID_14564587, ChEBI:CHEBI:168587

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Chemical structure information

SMILES:
CC(C1CCC2(C1C1SC2CCC1=C)C)C

InChI:
InChI=1S/C15H24S/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3

InChIKey:
HVLGGQYBXOJMLO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC5CSC5CCC6=C))))))))C)))))C

Functional groups:
CSC, C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2SC1C1CCCC21

Scaffold Graph/Node level:
CC1CCC2SC1C1CCCC21

Scaffold Graph level:
CC1CCC2CC1C1CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Isodaucane sesquiterpenoids

NP-Likeness score: 1.942

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Chemical structure download