Sinensol F

Details

• Internal ID: 6a7d7c80-660d-4ac1-9817-1c4d20b1201e
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
• IUPAC Name: 3,8-bis[(4-hydroxyphenyl)methyl]-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol
• SMILES (Canonical): CC(=CCC1=C(C(=CC2=C1CCC3=C2C(=CC(=C3CC4=CC=C(C=C4)O)OC)O)CC5=CC=C(C=C5)O)O)C
• SMILES (Isomeric): CC(=CCC1=C(C(=CC2=C1CCC3=C2C(=CC(=C3CC4=CC=C(C=C4)O)OC)O)CC5=CC=C(C=C5)O)O)C
• InChI: InChI=1S/C34H34O5/c1-20(2)4-13-28-26-14-15-27-29(17-22-7-11-25(36)12-8-22)32(39-3)19-31(37)33(27)30(26)18-23(34(28)38)16-21-5-9-24(35)10-6-21/h4-12,18-19,35-38H,13-17H2,1-3H3
• InChI Key: RLRFDQCBCXUXFC-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₃₄H₃₄O₅
• Molecular Weight: 522.60 g/mol
• Exact Mass: 522.24062418 g/mol
• Topological Polar Surface Area (TPSA): 90.20 Ų
• XlogP: 8.20

Synonyms

• CHEMBL470028

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	99.44%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.79%	98.95%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	96.19%	95.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.14%	96.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	93.44%	95.89%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.34%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.89%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.27%	94.45%
CHEMBL2535	P11166	Glucose transporter	91.02%	98.75%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	89.66%	98.11%
CHEMBL4208	P20618	Proteasome component C5	88.90%	90.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	88.09%	95.50%
CHEMBL1951	P21397	Monoamine oxidase A	87.79%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.55%	95.56%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	85.30%	91.79%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.26%	92.94%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.90%	94.00%
CHEMBL5747	Q92793	CREB-binding protein	84.03%	95.12%
CHEMBL3194	P02766	Transthyretin	83.61%	90.71%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	81.67%	85.00%
CHEMBL3438	Q05513	Protein kinase C zeta	80.77%	88.48%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.70%	95.89%

Plants that contains it

• Spiranthes sinensis

Cross-Links

• PubChem: 10839754
• LOTUS: LTS0261464
• wikiData: Q105240459