Rigidoporone B

Details

• Internal ID: 7cb042d3-1782-4008-a325-2cda6291f4ef
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Acyloins
• IUPAC Name: (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one
• SMILES (Canonical): CC1(C2CCC(C3C2C(O1)C(C(=O)C3)(C)O)(C)O)C
• SMILES (Isomeric): C[C@@]1(CC[C@@H]2[C@H]3[C@H]1CC(=O)[C@]([C@@H]3OC2(C)C)(C)O)O
• InChI: InChI=1S/C15H24O4/c1-13(2)8-5-6-14(3,17)9-7-10(16)15(4,18)12(19-13)11(8)9/h8-9,11-12,17-18H,5-7H2,1-4H3/t8-,9-,11+,12-,14+,15+/m1/s1
• InChI Key: FQJNBMDLOIHXER-PFJQPICRSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₄
• Molecular Weight: 268.35 g/mol
• Exact Mass: 268.16745924 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 0.50

Synonyms

There are no found synonyms.

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	91.06%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.93%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.80%	95.56%
CHEMBL1937	Q92769	Histone deacetylase 2	89.54%	94.75%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.70%	85.14%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.55%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.21%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.98%	99.23%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	86.92%	93.04%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.92%	97.09%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	80.50%	93.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682518
• LOTUS: LTS0205894
• wikiData: Q104999685