Cirrhopetalanthin

Details

• Internal ID: d47b6c41-c366-4037-b945-7fd96a7577d5
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Phenanthrols
• IUPAC Name: 1-(2,7-dihydroxy-4-methoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
• SMILES (Canonical): COC1=C2C3=C(C=CC2=C(C(=C1)O)C4=C5C=CC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)C=C(C=C3)O
• SMILES (Isomeric): COC1=C2C3=C(C=CC2=C(C(=C1)O)C4=C5C=CC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)C=C(C=C3)O
• InChI: InChI=1S/C30H22O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h3-14,31-34H,1-2H3
• InChI Key: CNLFNDMTGHNGIV-UHFFFAOYSA-N
• Popularity: 10 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₂₂O₆
• Molecular Weight: 478.50 g/mol
• Exact Mass: 478.14163842 g/mol
• Topological Polar Surface Area (TPSA): 99.40 Ų
• XlogP: 7.10

Synonyms

• CIRRHOPETALANTHIN
• CHEMBL359501
• (?)-BlestriareneC
• DTXSID101219520
• BDBM50160804
• AKOS040763200
• 120090-81-5
• 4,4'-Dimethoxy[1,1'-biphenanthrene]-2,2',7,7'-tetrol
• 1-(2,7-dihydroxy-4-methoxy-1-phenanthryl)-4-methoxyphenanthrene-2,7-diol
• 4,4''''-Dimethoxy-[1,1'''']biphenanthrenyl-2,7,2'''',7''''-tetraol
• 1-(2,7-dihydroxy-4-methoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
• 511256-45-4

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	97.83%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.83%	94.45%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	91.63%	89.62%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	91.40%	91.79%
CHEMBL242	Q92731	Estrogen receptor beta	90.74%	98.35%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.92%	94.00%
CHEMBL1255126	O15151	Protein Mdm4	88.64%	90.20%
CHEMBL2535	P11166	Glucose transporter	88.28%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.51%	99.17%
CHEMBL4208	P20618	Proteasome component C5	87.50%	90.00%
CHEMBL2581	P07339	Cathepsin D	87.36%	98.95%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.60%	92.94%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.31%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.22%	96.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.68%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.87%	86.33%
CHEMBL1937	Q92769	Histone deacetylase 2	80.51%	94.75%

Plants that contains it

• Bletilla striata
• Bulbophyllum crabro
• Bulbophyllum reptans
• Cremastra appendiculata
• Gymnadenia conopsea
• Sophora tomentosa
• Syzygium aromaticum
• Thunia alba

Cross-Links

• PubChem: 9982511
• NPASS: NPC133463
• ChEMBL: CHEMBL359501
• LOTUS: LTS0100038
• wikiData: Q104965957