Zosteropenilline H

Details

• Internal ID: b1ad690a-8c8d-43bb-b91d-6a46098a1acb
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones > Beta-hydroxy ketones
• IUPAC Name: 1-[(1R,4S,4aR,5R,6S,8aS)-4,5-dihydroxy-2,6-dimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-hydroxypropan-1-one
• SMILES (Canonical): CC1CCC2C(C1O)C(C=C(C2C(=O)CCO)C)O
• SMILES (Isomeric): C[C@H]1CC[C@H]2[C@H]([C@@H]1O)[C@H](C=C([C@@H]2C(=O)CCO)C)O
• InChI: InChI=1S/C15H24O4/c1-8-3-4-10-13(11(17)5-6-16)9(2)7-12(18)14(10)15(8)19/h7-8,10,12-16,18-19H,3-6H2,1-2H3/t8-,10+,12-,13-,14-,15+/m0/s1
• InChI Key: YJFNLJQAXHATDW-JCBYMHKUSA-N
• Popularity: 1 reference 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): 77.80 Ų
• XlogP: 0.20

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
CHEMBL4040	P28482	MAP kinase ERK2	97.56%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.86%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.25%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.05%	91.11%
CHEMBL2581	P07339	Cathepsin D	88.39%	98.95%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	87.49%	86.00%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	87.19%	94.80%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.97%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.69%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.04%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139590444
• LOTUS: LTS0229469
• wikiData: Q105349226