Summary

IMPPAT Phytochemical identifier: IMPHY008711

Phytochemical name: 7,10-Epoxy-2,6,10-trimethyl-dodeca-2,11-dien-6-ol B

Synonymous chemical names:
2,6,10-trimethyl-7,10-epoxy-2 , 11-dodecadien-6-ol, 2,6,10-trimethyl-7,10-epoxy-2,11-dodecadien-6-ol

External chemical identifiers:
CID:6429101, SureChEMBL:SCHEMBL11251017

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Chemical structure information

SMILES:
C=CC1(C)CCC(O1)C(CCC=C(C)C)(O)C

InChI:
InChI=1S/C15H26O2/c1-6-14(4)11-9-13(17-14)15(5,16)10-7-8-12(2)3/h6,8,13,16H,1,7,9-11H2,2-5H3

InChIKey:
OIVTVPOJCWXSIC-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CCCO5)CCCC=CC)C)))))O)C

Functional groups:
C=CC, CC=C(C)C, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOC1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Tetrahydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Farnesane sesquiterpenoids

NP-Likeness score: 3.536

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Chemical structure download