Xeromphalinone D

Details

• Internal ID: 9edf1dda-bda5-4a3e-ae4c-5978afe0789e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Linear triquinanes
• IUPAC Name: (3bR,6aR,7aR)-7a-hydroxy-3-(methoxymethyl)-5,5-dimethyl-1,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one
• InChI: InChI=1S/C15H22O3/c1-14(2)4-9-5-15(17)7-12(16)11(8-18-3)13(15)10(9)6-14/h9-10,17H,4-8H2,1-3H3/t9-,10-,15-/m1/s1
• InChI Key: GEJBCOXVNJTYAY-IQMDTDKHSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.33 g/mol
• Exact Mass: 250.15689456 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 0.90

Synonyms

• GEJBCOXVNJTYAY-IQMDTDKHSA-
• InChI=1/C15H22O3/c1-14(2)4-9-5-15(17)7-12(16)11(8-18-3)13(15)10(9)6-14/h9-10,17H,4-8H2,1-3H3/t9-,10-,15-/m1/s1

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.95%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.04%	85.14%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.74%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.05%	91.11%
CHEMBL2581	P07339	Cathepsin D	90.54%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.59%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.38%	94.45%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.42%	97.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.85%	95.56%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.82%	91.07%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 46217879
• LOTUS: LTS0101106
• wikiData: Q77566363