Lancifodilactone D

Details

• Internal ID: 2a109732-8acc-460b-8df4-5737cb3dc396
• Taxonomy: Organoheterocyclic compounds > Furopyrans
• IUPAC Name: (1R,3S,7S,10R,15R,17S,18R,21S,22R,23R,25R,29R)-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacos-12-ene-5,14,19,24-tetrone
• SMILES (Canonical): CC1C2C3C(C(C(=O)O3)C)OC45C2C(C1=O)(CCC6(O4)CC78C(CC=C6C5=O)C(OC7CC(=O)O8)(C)C)C
• SMILES (Isomeric): C[C@@H]1[C@H]2[C@H]3[C@H]([C@H](C(=O)O3)C)O[C@]45[C@H]2[C@](C1=O)(CC[C@@]6(O4)C[C@]78[C@H](CC=C6C5=O)C(O[C@H]7CC(=O)O8)(C)C)C
• InChI: InChI=1S/C29H34O9/c1-12-18-20-19(13(2)24(33)34-20)37-29-21(18)26(5,22(12)31)8-9-27(38-29)11-28-15(7-6-14(27)23(29)32)25(3,4)35-16(28)10-17(30)36-28/h6,12-13,15-16,18-21H,7-11H2,1-5H3/t12-,13-,15-,16+,18+,19+,20+,21-,26-,27-,28+,29-/m1/s1
• InChI Key: WKRDQUNBIWYNSG-SPYPFQIRSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₉H₃₄O₉
• Molecular Weight: 526.60 g/mol
• Exact Mass: 526.22028266 g/mol
• Topological Polar Surface Area (TPSA): 114.00 Ų
• XlogP: 1.60

Synonyms

• 663176-27-0

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.90%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.19%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.70%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.23%	95.56%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	88.68%	94.80%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.31%	86.33%
CHEMBL1937	Q92769	Histone deacetylase 2	86.08%	94.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.33%	96.09%
CHEMBL325	Q13547	Histone deacetylase 1	83.99%	95.92%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	83.98%	93.40%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	83.85%	97.14%
CHEMBL2581	P07339	Cathepsin D	83.66%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.28%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.23%	95.89%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.66%	89.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.30%	97.25%

Plants that contains it

• Schisandra chinensis
• Schisandra grandiflora
• Schisandra lancifolia

Cross-Links

• PubChem: 12080814
• NPASS: NPC135267
• LOTUS: LTS0148426
• wikiData: Q104401025