Maoesin D

Details

• Internal ID: fd9719f6-7475-4b2e-b9df-a409e89cb1a7
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids
• IUPAC Name: [(1R,2S,5S,8S,9R,10S,11S,12R,13S)-13-acetyloxy-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-3-en-12-yl]methyl acetate
• SMILES (Canonical): CC(=O)OCC1(C(CCC23C1C(C(C45C2C=CC(C4)C(=C)C5=O)(OC3)O)O)OC(=O)C)C
• SMILES (Isomeric): CC(=O)OC[C@@]1([C@H](CC[C@]23[C@@H]1[C@@H]([C@@]([C@]45[C@H]2C=C[C@H](C4)C(=C)C5=O)(OC3)O)O)OC(=O)C)C
• InChI: InChI=1S/C24H30O8/c1-12-15-5-6-16-22-8-7-17(32-14(3)26)21(4,10-30-13(2)25)18(22)20(28)24(29,31-11-22)23(16,9-15)19(12)27/h5-6,15-18,20,28-29H,1,7-11H2,2-4H3/t15-,16+,17+,18-,20+,21-,22-,23+,24+/m1/s1
• InChI Key: FUWZKRPAEKGTSW-MIWKWXCYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₀O₈
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.19406791 g/mol
• Topological Polar Surface Area (TPSA): 119.00 Ų
• XlogP: 0.70

Synonyms

• CHEBI:70366
• CHEMBL1641877
• Q27138706

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.61%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.49%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.40%	94.45%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.12%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.08%	97.09%
CHEMBL2581	P07339	Cathepsin D	90.95%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	88.60%	90.17%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.44%	100.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.50%	92.94%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.35%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.57%	95.89%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	84.34%	82.69%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.32%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.94%	89.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	82.58%	91.07%
CHEMBL3922	P50579	Methionine aminopeptidase 2	82.50%	97.28%
CHEMBL230	P35354	Cyclooxygenase-2	81.10%	89.63%

Plants that contains it

• Isodon eriocalyx

Cross-Links

• PubChem: 50901151
• NPASS: NPC320118
• ChEMBL: CHEMBL1641877
• LOTUS: LTS0240447
• wikiData: Q27138706