CNP0301071.6

CNP0301071.6 · C21H30O4 · View on COCONUT ↗

2D Structure

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Identifiers

COCONUT ID	CNP0301071.6
InChIKey	QQNSARJGBPMQDI-FXMQYSIJSA-N
InChI	InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15?,21-/m0/s1
SMILES	COC1=C(C(C)C)C=C2CCC3C(C)(C)CCC[C@@]3(C(=O)O)C2=C1O

Properties

Molecular Formula	C21H30O4
Molecular Weight	346.47
Exact Mass	346.21441
Log P (ALogP)	4.62
TPSA	66.76
H-Bond Donors / Acceptors	2 / 3
Rotatable Bonds	3
Lipinski's Rule of 5 Violations	0
QED Drug-likeness	0.84
NP-likeness	2.23

Classification

NP Pathway	Terpenoids
NP Superclass	Diterpenoids
NP Class	Abietane diterpenoids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Salvia officinalis	as “Salvia officinalis” 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