Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003773

Phytochemical name: Artemisiatriene

Synonymous chemical names:
artemesia triene, Artemisia triene, artemisiatriene, artemisia triene, artemisia triene

External chemical identifiers:
CID:CID_5320377, ZINC:ZINC000085972551, SureChEMBL:SCHEMBL3306615

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Chemical structure information

SMILES:
C=CC(/C=C/C(=C)C)(C)C

InChI:
InChI=1S/C10H16/c1-6-10(4,5)8-7-9(2)3/h6-8H,1-2H2,3-5H3/b8-7+

InChIKey:
BYLJEQIUXOYKOB-BQYQJAHWSA-N

DeepSMILES:
C=CC/C=C/C=C)C))))C)C

Functional groups:
C=CC, C=C(C)/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Irregular monoterpenoids

NP-Likeness score: 2.344

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Chemical structure download