9,10-Dihydro-2,3,5,7-Phenanthrenetetrol

Details

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Internal ID 21024032-1ef4-4496-88da-2c606ef8e5a3
Taxonomy Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
IUPAC Name 9,10-dihydrophenanthrene-2,3,5,7-tetrol
SMILES (Canonical) C1CC2=C(C3=CC(=C(C=C31)O)O)C(=CC(=C2)O)O
SMILES (Isomeric) C1CC2=C(C3=CC(=C(C=C31)O)O)C(=CC(=C2)O)O
InChI InChI=1S/C14H12O4/c15-9-3-8-2-1-7-4-11(16)12(17)6-10(7)14(8)13(18)5-9/h3-6,15-18H,1-2H2
InChI Key NIGUICNPKCJLJQ-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C14H12O4
Molecular Weight 244.24 g/mol
Exact Mass 244.07355886 g/mol
Topological Polar Surface Area (TPSA) 80.90 Ų
XlogP 2.40

Synonyms

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9,10-dihydrophenanthrene-2,3,5,7-tetrol
SCHEMBL11505126
CHEBI:174259
DTXSID001279866
2,3,5,7-Tetrahydroxy-9,10-dihydrophenanthrene
2,4,6,7-tetrahydroxy-9,10-dihydrophenanthrene
2,4,6,7-Tetrahydroxy-9-10-dihydrophenanthrene
22318-82-7

2D Structure

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2D Structure of 9,10-Dihydro-2,3,5,7-Phenanthrenetetrol

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 98.42% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 98.27% 91.49%
CHEMBL1929 P47989 Xanthine dehydrogenase 91.94% 96.12%
CHEMBL4208 P20618 Proteasome component C5 89.31% 90.00%
CHEMBL242 Q92731 Estrogen receptor beta 87.86% 98.35%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.59% 93.40%
CHEMBL5145 P15056 Serine/threonine-protein kinase B-raf 86.27% 97.90%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 86.13% 91.79%
CHEMBL2581 P07339 Cathepsin D 84.85% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.20% 96.09%
CHEMBL3194 P02766 Transthyretin 82.69% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.44% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.66% 86.33%

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.
Dioscorea bulbifera
Senna garrettiana

Cross-Links

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PubChem 22753774
LOTUS LTS0139692
wikiData Q105179805