13,15-Dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione

Details

• Internal ID: 18b06f25-e3f6-45bf-82ec-8cdf0a784202
• Taxonomy: Phenylpropanoids and polyketides > Macrolides and analogues
• IUPAC Name: 13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
• InChI: InChI=1S/C16H20O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h7,9-10,17,19H,2-6,8H2,1H3
• InChI Key: VDUIGYAPSXCJFC-UHFFFAOYSA-N
• Popularity: 95 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₀O₅
• Molecular Weight: 292.33 g/mol
• Exact Mass: 292.13107373 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 3.10

Synonyms

• NSC166071
• (S)-Curvularin
• NSC-166071
• Compound NP-005836
• CHEMBL482052
• SCHEMBL2140562
• ACon1_001974
• CHEBI:181803
• VDUIGYAPSXCJFC-UHFFFAOYSA-N
• HB3853
• AKOS040740430
• 13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
• NCGC00179952-01
• NCGC00179952-02
• NCI60_001283
• J-000384
• BRD-A14601022-001-01-8
• Q15410913
• 11,13-Dihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1H-benzo[d]oxacyclododecine-2,10-dione
• 11,13-Dihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione
• 13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-3,11-dione
• 2H-3-Benzoxacyclododecin-2, 4,5,6,7,8,9-hexahydro-11,13-dihydroxy-4-methyl-
• 2H-3-Benzoxacyclododecin-2, 4,5,6,7,8,9-hexahydro-11,13-dihydroxy-4-methyl-, (-)-
• 2H-3-Benzoxacyclododecin-2, 4,5,6,7,8,9-hexahydro-11,13-dihydroxy-4-methyl-, (S)-
• 11,13-Dihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione #
• 2H-3-Benzoxacyclododecin-2, 10(1H)-dione, 4,5,6,7,8,9-hexahydro-11,13-dihydroxy-4-methyl-, (-)-
• 2H-3-Benzoxacyclododecin-2,10(1H)-dione, 4,5,6,7,8,9-hexahydro-11, 13-dihydroxy-4-methyl-

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	98.44%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.66%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.68%	95.56%
CHEMBL1929	P47989	Xanthine dehydrogenase	91.57%	96.12%
CHEMBL217	P14416	Dopamine D2 receptor	90.39%	95.62%
CHEMBL241	Q14432	Phosphodiesterase 3A	88.03%	92.94%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	88.00%	96.38%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.33%	90.71%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.99%	97.09%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	85.01%	93.40%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.83%	95.89%
CHEMBL1951	P21397	Monoamine oxidase A	84.57%	91.49%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	83.59%	93.04%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.48%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.92%	89.00%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	82.68%	85.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.82%	94.45%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	81.77%	96.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.09%	100.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.01%	99.23%
CHEMBL5255	O00206	Toll-like receptor 4	80.77%	92.50%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.54%	92.62%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	80.04%	96.21%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 296197
• LOTUS: LTS0239324
• wikiData: Q15410913