(1R,3R,4E,8E,12S)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol

CNP0120060.1 · C20H34O2 · View on COCONUT ↗

2D Structure

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Identifiers

Name	(1R,3R,4E,8E,12S)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
IUPAC Name	(1~{R},3~{R},4~{E},8~{E},12~{S})-12-isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol
COCONUT ID	CNP0120060.1
InChIKey	RIVKDDXPCFBMOV-HDJBVBBQSA-N
InChI	InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11?,16-7+,17-13+/t18-,19+,20+/m1/s1
SMILES	C/C1=C\[C@H](O)C[C@@](C)(O)C=C[C@H](C(C)C)CC/C(C)=C/CC1

Properties

Molecular Formula	C20H34O2
Molecular Weight	306.49
Exact Mass	306.25588
Log P (ALogP)	4.78
TPSA	40.46
H-Bond Donors / Acceptors	2 / 2
Rotatable Bonds	1
Lipinski's Rule of 5 Violations	0
QED Drug-likeness	0.68
NP-likeness	3.33

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

Nicotiana tabacum	as “Nicotiana tabacum” in COCONUT

References (2)

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