(1S,4E,7S,8S,11S)-8-methoxy-3,3,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-one

CNP0493501.2 · C16H26O3 · View on COCONUT ↗

2D Structure

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Identifiers

Name	(1S,4E,7S,8S,11S)-8-methoxy-3,3,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-one
IUPAC Name	(1~{S},4~{E},7~{S},8~{S},11~{S})-8-methoxy-3,3,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-one
COCONUT ID	CNP0493501.2
InChIKey	JYAVQHZBURIQTR-UBZGTJILSA-N
InChI	InChI=1S/C16H26O3/c1-11-12(17)6-8-15(2,3)10-14-16(4,19-14)9-7-13(11)18-5/h6,8,11,13-14H,7,9-10H2,1-5H3/b8-6+/t11-,13+,14+,16+/m1/s1
SMILES	CO[C@H]1CC[C@]2(C)O[C@H]2CC(C)(C)/C=C/C(=O)[C@H]1C

Properties

Molecular Formula	C16H26O3
Molecular Weight	266.38
Exact Mass	266.18819
Log P (ALogP)	3.13
TPSA	38.83
H-Bond Donors / Acceptors	0 / 3
Rotatable Bonds	1
Lipinski's Rule of 5 Violations	0
QED Drug-likeness	0.68
NP-likeness	3.11

Classification

NP Pathway	Terpenoids
NP Superclass	Sesquiterpenoids
NP Class	Humulane sesquiterpenoids
Chemical Superclass	Organic oxygen compounds
Chemical Class	Organooxygen compounds
Chemical Subclass	Carbonyl compounds

Reported in GR-MAPs Plants

Syringa pinnatifolia	as “Syringa pinnatifolia” in COCONUT

References (1)

10.1021/acs.jnatprod.7b01071

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