Summary

IMPPAT Phytochemical identifier: IMPHY011482

Phytochemical name: (1S,3Z,7E,11Z)-1-isopropyl-4,8,12-trimethyl-cyclotetradeca-3,7,11-trien-1-ol

Synonymous chemical names:
serratol

External chemical identifiers:
CID:86577759, ZINC:ZINC000212224339

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Chemical structure information

SMILES:
C/C/1=C/C[C@@](O)(CC/C(=CCC/C(=C/CC1)/C)/C)C(C)C

InChI:
InChI=1S/C20H34O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,21H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12-,19-11-/t20-/m1/s1

InChIKey:
ZVWXZFYWLABNOW-DFCKSCQKSA-N

DeepSMILES:
C/C=C/C[C@@]O)CC/C=CCC/C=C/CC%14)))/C)))))/C))))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=CCCCCC=CCC1

Scaffold Graph/Node level:
C1CCCCCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCCCCC1

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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: Diterpenoids

NP Classifier Class: Cembrane diterpenoids

NP-Likeness score: 2.031

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Chemical structure download