13,13'-Dehydrohomoancepsenolide

Details

• Internal ID: a4cdc6a5-6192-46ca-8287-2df742f31770
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins
• IUPAC Name: (2S)-2-methyl-4-[(Z)-14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one
• InChI: InChI=1S/C24H36O4/c1-19-17-21(23(25)27-19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-18-20(2)28-24(22)26/h3-4,17-20H,5-16H2,1-2H3/b4-3-/t19-,20-/m0/s1
• InChI Key: GYFZMLJVIIRXPP-FZZLMOMWSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₆O₄
• Molecular Weight: 388.50 g/mol
• Exact Mass: 388.26135963 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 7.10

Synonyms

• 13,13'-dehydrohomoancepsenolide

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.16%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.83%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	88.36%	94.73%
CHEMBL2581	P07339	Cathepsin D	87.83%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.78%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.35%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.98%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10045822
• LOTUS: LTS0193388
• wikiData: Q105023693