Dendronpholide B

Details

• Internal ID: b4df4239-826c-4030-b902-7ae91bcbd798
• Taxonomy: Phenylpropanoids and polyketides > Macrolides and analogues
• IUPAC Name: [(1R,3R,4E,7E,11S,12R)-3-hydroxy-4,8,12-trimethyl-15-methylidene-14-oxo-13-oxabicyclo[10.3.2]heptadeca-4,7-dien-11-yl] acetate
• SMILES (Canonical): CC1=CCC=C(C(CC2CCC(C(CC1)OC(=O)C)(OC(=O)C2=C)C)O)C
• SMILES (Isomeric): C/C/1=C\C/C=C(/[C@@H](C[C@H]2CC[C@]([C@H](CC1)OC(=O)C)(OC(=O)C2=C)C)O)\C
• InChI: InChI=1S/C22H32O5/c1-14-7-6-8-15(2)19(24)13-18-11-12-22(5,27-21(25)16(18)3)20(10-9-14)26-17(4)23/h7-8,18-20,24H,3,6,9-13H2,1-2,4-5H3/b14-7+,15-8+/t18-,19-,20+,22-/m1/s1
• InChI Key: FYHZAJMWZNMCLN-XZIQCTLMSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₃₂O₅
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.22497412 g/mol
• Topological Polar Surface Area (TPSA): 72.80 Ų
• XlogP: 3.10

Synonyms

• CHEMBL517990

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	98.12%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.39%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.02%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.47%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.32%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.91%	94.45%
CHEMBL241	Q14432	Phosphodiesterase 3A	87.80%	92.94%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.29%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.96%	99.23%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.40%	97.25%
CHEMBL1871	P10275	Androgen Receptor	86.36%	96.43%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	85.90%	91.07%
CHEMBL5028	O14672	ADAM10	85.35%	97.50%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.92%	97.09%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	83.51%	93.04%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.32%	100.00%
CHEMBL340	P08684	Cytochrome P450 3A4	82.07%	91.19%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.84%	97.14%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.33%	85.14%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 24970636
• LOTUS: LTS0132935
• wikiData: Q105004487