Diaporol F

Details

• Internal ID: cf4d4c8f-6fdb-4728-95ca-aa66340edc13
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones
• IUPAC Name: (4aS,6S,8aS)-6-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
• SMILES (Canonical): CC1=C(C2(CC(CC(C2CC1=O)(C)C)O)C)CO
• SMILES (Isomeric): CC1=C([C@]2(C[C@H](CC([C@@H]2CC1=O)(C)C)O)C)CO
• InChI: InChI=1S/C15H24O3/c1-9-11(8-16)15(4)7-10(17)6-14(2,3)13(15)5-12(9)18/h10,13,16-17H,5-8H2,1-4H3/t10-,13-,15+/m0/s1
• InChI Key: VIQTUXLCEPAHBZ-VZJVUDMVSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₃
• Molecular Weight: 252.35 g/mol
• Exact Mass: 252.17254462 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 1.20

Synonyms

• (4aS,6S,8aS)-6-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
• RefChem:132691
• CHEMBL2152462
• CHEBI:224720

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	97.25%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.43%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.85%	96.09%
CHEMBL2581	P07339	Cathepsin D	88.65%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.95%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.67%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.50%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.18%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.95%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 71453065
• LOTUS: LTS0071992
• wikiData: Q77574262