2-(4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxy-9,10-dihydrophenanthrene-3,5-diol

Details

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Internal ID ff09b926-4df9-465c-918a-1ac7f7eeb2a1
Taxonomy Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
IUPAC Name 2-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxy-9,10-dihydrophenanthrene-3,5-diol
SMILES (Canonical) COC1=CC2=C(C3=CC(=C(C=C3CC2)C4=C(C=C(C5=C4CCC6=C5C=CC(=C6)O)O)OC)O)C(=C1)O
SMILES (Isomeric) COC1=CC2=C(C3=CC(=C(C=C3CC2)C4=C(C=C(C5=C4CCC6=C5C=CC(=C6)O)O)OC)O)C(=C1)O
InChI InChI=1S/C30H26O6/c1-35-19-10-17-4-3-16-11-23(24(32)13-22(16)28(17)25(33)12-19)30-21-7-5-15-9-18(31)6-8-20(15)29(21)26(34)14-27(30)36-2/h6,8-14,31-34H,3-5,7H2,1-2H3
InChI Key JHQHJDNDZVFFDC-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) 99.40 Ų
XlogP 5.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxy-9,10-dihydrophenanthrene-3,5-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 98.35% 91.11%
CHEMBL242 Q92731 Estrogen receptor beta 97.93% 98.35%
CHEMBL1951 P21397 Monoamine oxidase A 95.64% 91.49%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 94.84% 91.79%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.55% 96.09%
CHEMBL4208 P20618 Proteasome component C5 93.39% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.83% 95.56%
CHEMBL2581 P07339 Cathepsin D 92.24% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 92.11% 93.40%
CHEMBL2535 P11166 Glucose transporter 91.26% 98.75%
CHEMBL2056 P21728 Dopamine D1 receptor 90.56% 91.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.24% 86.33%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 88.62% 82.67%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.70% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.50% 93.99%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.27% 99.15%
CHEMBL1907 P15144 Aminopeptidase N 86.12% 93.31%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.10% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.65% 99.17%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.44% 95.89%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 82.61% 96.09%
CHEMBL3194 P02766 Transthyretin 81.85% 90.71%
CHEMBL1293289 P25440 Bromodomain-containing protein 2 81.53% 86.19%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.92% 94.45%
CHEMBL205 P00918 Carbonic anhydrase II 80.50% 98.44%

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.
Bulbophyllum odoratissimum

Cross-Links

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PubChem 148057841
LOTUS LTS0142465
wikiData Q105128158