Okilactomycin D

Details

• Internal ID: b56c63e8-325a-4cf2-8115-afbf91fd280c
• Taxonomy: Phenylpropanoids and polyketides > Macrolides and analogues
• IUPAC Name: (1S,3S,6S,10R,12R,13Z)-15-hydroxy-3,4,10,12,14-pentamethyl-18-oxatricyclo[14.2.1.01,6]nonadeca-4,13,15-triene-17,19-dione
• SMILES (Canonical): CC1CCCC2C=C(C(CC23C(=O)C(=C(C(=CC(C1)C)C)O)C(=O)O3)C)C
• SMILES (Isomeric): C[C@@H]1CCC[C@H]2C=C([C@H](C[C@@]23C(=O)C(=C(/C(=C\[C@@H](C1)C)/C)O)C(=O)O3)C)C
• InChI: InChI=1S/C23H32O4/c1-13-7-6-8-18-11-15(3)17(5)12-23(18)21(25)19(22(26)27-23)20(24)16(4)10-14(2)9-13/h10-11,13-14,17-18,24H,6-9,12H2,1-5H3/b16-10-,20-19?/t13-,14-,17+,18+,23+/m1/s1
• InChI Key: GNFFKZIDPGAGMZ-PSJWWYLHSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₃₂O₄
• Molecular Weight: 372.50 g/mol
• Exact Mass: 372.23005950 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: 5.00

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.64%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.16%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.73%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.17%	99.23%
CHEMBL2581	P07339	Cathepsin D	86.61%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.96%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.09%	89.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.02%	92.94%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.03%	93.03%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	80.41%	93.04%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 102282979
• LOTUS: LTS0125969
• wikiData: Q105012362