(11Z)-Tricyclo[20.2.2.02,7]hexacosa-1(24),2(7),3,5,11,22,25-heptaene-3,5,24,25-tetrol

Details

• Internal ID: a7be6726-36b8-4aeb-9a6f-9e8501e36e6f
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids
• IUPAC Name: (11Z)-tricyclo[20.2.2.02,7]hexacosa-1(24),2(7),3,5,11,22,25-heptaene-3,5,24,25-tetrol
• InChI: InChI=1S/C26H34O4/c27-21-17-20-14-12-10-8-6-4-2-1-3-5-7-9-11-13-19-15-22(28)26(23(29)16-19)25(20)24(30)18-21/h6,8,15-18,27-30H,1-5,7,9-14H2/b8-6-
• InChI Key: FVFRWPLEBQLVDY-VURMDHGXSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₄O₄
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.24570956 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: 8.10

Synonyms

• 1005328-81-3

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	98.46%	91.11%
CHEMBL1929	P47989	Xanthine dehydrogenase	91.67%	96.12%
CHEMBL2581	P07339	Cathepsin D	90.77%	98.95%
CHEMBL4208	P20618	Proteasome component C5	90.30%	90.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.68%	94.45%
CHEMBL1951	P21397	Monoamine oxidase A	87.33%	91.49%
CHEMBL217	P14416	Dopamine D2 receptor	87.01%	95.62%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	86.64%	93.10%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.97%	95.56%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.68%	93.99%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	80.37%	85.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.19%	99.15%

Plants that contains it

• Kermadecia elliptica

Cross-Links

• PubChem: 146115965
• LOTUS: LTS0112772
• wikiData: Q105002376