Strongylophorine-1

Details

• Internal ID: d57593cc-1a2f-4757-8195-262074c71b0c
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes
• IUPAC Name: (1R,2S,11S,14R,15R,19S,20R)-6-methoxy-1,11,15,19-tetramethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-19-carboxylic acid
• SMILES (Canonical): CC12CCCC(C1CCC3(C2CCC4(C3CC5=C(O4)C=CC(=C5)OC)C)C)(C)C(=O)O
• SMILES (Isomeric): C[C@]12CCC[C@]([C@@H]1CC[C@@]3([C@@H]2CC[C@]4([C@H]3CC5=C(O4)C=CC(=C5)OC)C)C)(C)C(=O)O
• InChI: InChI=1S/C27H38O4/c1-24-11-6-12-26(3,23(28)29)21(24)9-13-25(2)20(24)10-14-27(4)22(25)16-17-15-18(30-5)7-8-19(17)31-27/h7-8,15,20-22H,6,9-14,16H2,1-5H3,(H,28,29)/t20-,21-,22+,24-,25-,26+,27+/m1/s1
• InChI Key: JCXUKDWSYWEAAM-BKHKBBOWSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₃₈O₄
• Molecular Weight: 426.60 g/mol
• Exact Mass: 426.27700969 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 6.70

Synonyms

• CHEMBL467413
• 70214-91-4

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	98.19%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.16%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.67%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.84%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.44%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.02%	97.09%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	85.94%	85.30%
CHEMBL2581	P07339	Cathepsin D	84.91%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.67%	86.33%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.36%	93.99%
CHEMBL340	P08684	Cytochrome P450 3A4	82.60%	91.19%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.23%	92.62%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.91%	91.07%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.30%	89.00%

Plants that contains it

• Stephania pierrei

Cross-Links

• PubChem: 23424996
• NPASS: NPC265335
• ChEMBL: CHEMBL467413
• LOTUS: LTS0009544
• wikiData: Q105125255