Lassiosiphol

Details

• Internal ID: bb758a69-5cd0-499d-a231-9ef52ced778a
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives
• IUPAC Name: 9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
• SMILES (Canonical): CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C
• SMILES (Isomeric): CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C
• InChI: InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3
• InChI Key: FBMORZZOJSDNRQ-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32 g/mol
• Exact Mass: 248.14124450 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 2.10

Synonyms

• 94204-13-4
• 9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
• 8-Hydroxyasterolid
• SCHEMBL8914821
• DTXSID20916093
• CHEBI:181894
• NSC277275
• NSC-277275
• FT-0686577
• 9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[][1]benzouran-2-one
• (+/-)-3,8a-dimethyl-5-methylidene-9a-hydroxy-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b] furan-2-one
• 9a-Hydroxy-3,8a-dimethyl-5-methylidene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one

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	94.22%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.15%	95.56%
CHEMBL2581	P07339	Cathepsin D	90.53%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.73%	99.23%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.09%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.12%	97.25%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.02%	89.00%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	82.27%	93.03%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.68%	96.09%

Plants that contains it

• Atractylodes lancea
• Atractylodes macrocephala
• Chloranthus henryi
• Chloranthus tianmushanensis

Cross-Links

• PubChem: 196319
• LOTUS: LTS0076745
• wikiData: Q82887225