Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004614

Phytochemical name: (2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl formate

Synonymous chemical names:
geranylgeranyl formate, Geranylgeranyl formate

External chemical identifiers:
CID:CID_14413716, ZINC:ZINC000145406850, SureChEMBL:SCHEMBL9784594

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Chemical structure information

SMILES:
O=COC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C

InChI:
InChI=1S/C21H34O2/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-23-17-22/h9,11,13,15,17H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+,21-15+

InChIKey:
YCTKONHGXCYDJD-YKBIRWAZSA-N

DeepSMILES:
O=COC/C=C/CC/C=C/CC/C=C/CCC=CC)C)))))\C)))))\C)))))\C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Farnesane sesquiterpenoids

NP-Likeness score: 1.614

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Chemical structure download