(1S,2Z,4E,7Z,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol

CNP0500951.1 · C20H32O · View on COCONUT ↗

2D Structure

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Identifiers

Name	(1S,2Z,4E,7Z,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol
IUPAC Name	(1~{S},2~{Z},4~{E},7~{Z},11~{E})-1-isopropyl-4,8,12-trimethyl-cyclotetradeca-2,4,7,11-tetraen-1-ol
COCONUT ID	CNP0500951.1
InChIKey	POAOITUJCBBZJW-KYOTVCODSA-N
InChI	InChI=1S/C20H32O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,21H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10+,19-11+/t20-/m0/s1
SMILES	C/C1=C/C/C=C(C)/C=C\[C@@](O)(C(C)C)CC/C(C)=C/CC1

Properties

Molecular Formula	C20H32O
Molecular Weight	288.48
Exact Mass	288.24532
Log P (ALogP)	5.73
TPSA	20.23
H-Bond Donors / Acceptors	1 / 1
Rotatable Bonds	1
Lipinski's Rule of 5 Violations	1
QED Drug-likeness	0.61
NP-likeness	2.80

Classification

NP Pathway	Terpenoids
NP Superclass	Diterpenoids
NP Class	Cembrane diterpenoids
Chemical Superclass	Lipids and lipid-like molecules
Chemical Class	Prenol lipids
Chemical Subclass	Diterpenoids

Reported in GR-MAPs Plants

Commiphora wightii	as “Commiphora mukul; Commiphora wightii” in COCONUT

References (1)

10.1021/NP8004453

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.

COCONUT Compound