Cannithrene 1

Details

• Internal ID: c686853f-b941-4643-996c-ddb85f6385c2
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
• IUPAC Name: 7-methoxy-9,10-dihydrophenanthrene-3,5-diol
• SMILES (Canonical): COC1=CC2=C(C(=C1)O)C3=C(CC2)C=CC(=C3)O
• SMILES (Isomeric): COC1=CC2=C(C(=C1)O)C3=C(CC2)C=CC(=C3)O
• InChI: InChI=1S/C15H14O3/c1-18-12-6-10-3-2-9-4-5-11(16)7-13(9)15(10)14(17)8-12/h4-8,16-17H,2-3H2,1H3
• InChI Key: PLHFLFWGPBWZHL-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₄O₃
• Molecular Weight: 242.27 g/mol
• Exact Mass: 242.094294304 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 3.10

Synonyms

• Cannabidihydrophenanthrene
• 3B8HAG9WGE
• 71135-80-3
• 9,10-Dihydro-7-methoxy-3,5-phenanthrenediol
• UNII-3B8HAG9WGE
• 3,5-Phenanthrenediol, 9,10-dihydro-7-methoxy-
• 7-Methoxy-9,10-dihydrophenanthrene-3,5-diol
• SCHEMBL21582166
• DTXSID30701477

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	97.67%	91.11%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	96.28%	91.79%
CHEMBL1951	P21397	Monoamine oxidase A	95.76%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.20%	96.09%
CHEMBL4208	P20618	Proteasome component C5	93.01%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.00%	95.56%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	90.63%	92.68%
CHEMBL2581	P07339	Cathepsin D	88.44%	98.95%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.42%	93.99%
CHEMBL242	Q92731	Estrogen receptor beta	87.31%	98.35%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.12%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.14%	86.33%
CHEMBL2535	P11166	Glucose transporter	84.20%	98.75%
CHEMBL3085	P43003	Excitatory amino acid transporter 1	83.62%	94.67%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.45%	95.89%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.43%	95.89%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	83.23%	93.40%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.04%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.47%	99.17%
CHEMBL2056	P21728	Dopamine D1 receptor	81.60%	91.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.72%	91.07%
CHEMBL5311	P37023	Serine/threonine-protein kinase receptor R3	80.43%	82.67%

Plants that contains it

• Cannabis sativa
• Pholidota chinensis

Cross-Links

• PubChem: 53438738
• LOTUS: LTS0109347
• wikiData: Q82633145