DESFURANOAZADIRADIONE

CNP0146517.1 · C24H32O4 · View on COCONUT ↗

2D Structure

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Identifiers

Name	DESFURANOAZADIRADIONE
IUPAC Name	[(5~{R},7~{R},8~{R},9~{R},10~{R},13~{S})-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5~{H}-cyclopenta[a]phenanthren-7-yl] acetate
COCONUT ID	CNP0146517.1
CAS	146257-78-5
InChIKey	RACYWTTYSJTPOV-TUJRATNISA-N
InChI	InChI=1S/C24H32O4/c1-14(25)28-20-12-17-21(2,3)19(27)8-10-23(17,5)16-7-9-22(4)13-15(26)11-18(22)24(16,20)6/h8,10-11,16-17,20H,7,9,12-13H2,1-6H3/t16-,17+,20-,22+,23-,24-/m1/s1
SMILES	CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)CC(=O)C=C3[C@@]21C

Properties

Molecular Formula	C24H32O4
Molecular Weight	384.52
Exact Mass	384.23006
Log P (ALogP)	4.43
TPSA	60.44
H-Bond Donors / Acceptors	0 / 4
Rotatable Bonds	1
Lipinski's Rule of 5 Violations	0
QED Drug-likeness	0.63
NP-likeness	3.29

Classification

NP Pathway	Terpenoids
NP Superclass	Triterpenoids
NP Class	Apotirucallane triterpenoids
Chemical Superclass	Lipids and lipid-like molecules
Chemical Class	Steroids and steroid derivatives
Chemical Subclass	Steroid esters

Reported in GR-MAPs Plants

Azadirachta indica	as “Azadirachta indica” in COCONUT

References (5)

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