8-[(7-Hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol

Details

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Internal ID ac6bd966-fc6b-4022-a3e6-721a2a5a8a4c
Taxonomy Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
IUPAC Name 8-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
SMILES (Canonical) COC1=CC(=CC2=C1C3=C(CC2)C=C(C=C3)OC4=CC(=C(C5=C4CCC6=C5C=CC(=C6)O)O)OC)O
SMILES (Isomeric) COC1=CC(=CC2=C1C3=C(CC2)C=C(C=C3)OC4=CC(=C(C5=C4CCC6=C5C=CC(=C6)O)O)OC)O
InChI InChI=1S/C30H26O6/c1-34-26-14-20(32)12-18-4-3-17-13-21(7-10-22(17)28(18)26)36-25-15-27(35-2)30(33)29-23-9-6-19(31)11-16(23)5-8-24(25)29/h6-7,9-15,31-33H,3-5,8H2,1-2H3
InChI Key BJEOFEXAWYPDKM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C30H26O6
Molecular Weight 482.50 g/mol
Exact Mass 482.17293854 g/mol
Topological Polar Surface Area (TPSA) 88.40 Ų
XlogP 6.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-[(7-Hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 98.64% 91.11%
CHEMBL242 Q92731 Estrogen receptor beta 97.86% 98.35%
CHEMBL1951 P21397 Monoamine oxidase A 97.81% 91.49%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 96.24% 91.79%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.27% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.97% 96.09%
CHEMBL2056 P21728 Dopamine D1 receptor 93.52% 91.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.48% 86.33%
CHEMBL4208 P20618 Proteasome component C5 92.14% 90.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 90.33% 95.89%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.58% 95.89%
CHEMBL2581 P07339 Cathepsin D 89.42% 98.95%
CHEMBL2535 P11166 Glucose transporter 89.13% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.03% 99.15%
CHEMBL1907 P15144 Aminopeptidase N 88.08% 93.31%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.01% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.92% 94.00%
CHEMBL2073 P07947 Tyrosine-protein kinase YES 87.89% 83.14%
CHEMBL5145 P15056 Serine/threonine-protein kinase B-raf 86.37% 97.90%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 85.45% 96.09%
CHEMBL3194 P02766 Transthyretin 84.69% 90.71%
CHEMBL1293289 P25440 Bromodomain-containing protein 2 84.44% 86.19%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 83.25% 82.67%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.19% 92.68%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 81.64% 95.78%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 81.28% 100.00%
CHEMBL3085 P43003 Excitatory amino acid transporter 1 80.83% 94.67%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.27% 92.94%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Pholidota chinensis

Cross-Links

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PubChem 102026935
LOTUS LTS0269377
wikiData Q104937014