7,8a-bis(ethenyl)-2,3,4,5,6,7,8,9-octahydro-1H-fluorene-2,4a,4b,9a-tetrol

Details

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Internal ID a385fa28-2868-4226-a8dc-d9cf0946c759
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
IUPAC Name 7,8a-bis(ethenyl)-2,3,4,5,6,7,8,9-octahydro-1H-fluorene-2,4a,4b,9a-tetrol
SMILES (Canonical) C=CC1CCC2(C3(CCC(CC3(CC2(C1)C=C)O)O)O)O
SMILES (Isomeric) C=CC1CCC2(C3(CCC(CC3(CC2(C1)C=C)O)O)O)O
InChI InChI=1S/C17H26O4/c1-3-12-5-7-16(20)14(4-2,9-12)11-15(19)10-13(18)6-8-17(15,16)21/h3-4,12-13,18-21H,1-2,5-11H2
InChI Key YZVWXMHQIMVSCM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H26O4
Molecular Weight 294.40 g/mol
Exact Mass 294.18310931 g/mol
Topological Polar Surface Area (TPSA) 80.90 Ų
XlogP 0.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7,8a-bis(ethenyl)-2,3,4,5,6,7,8,9-octahydro-1H-fluorene-2,4a,4b,9a-tetrol

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
CHEMBL2730 P21980 Protein-glutamine gamma-glutamyltransferase 88.05% 92.38%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.37% 96.09%
CHEMBL238 Q01959 Dopamine transporter 85.98% 95.88%
CHEMBL4246 P42680 Tyrosine-protein kinase TEC 83.98% 82.05%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.87% 97.25%
CHEMBL1902 P62942 FK506-binding protein 1A 82.95% 97.05%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 82.59% 91.03%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 81.72% 93.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.71% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.08% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 80.59% 95.93%
CHEMBL1951 P21397 Monoamine oxidase A 80.41% 91.49%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.06% 97.09%

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.
Aralia continentalis

Cross-Links

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PubChem 162894354
LOTUS LTS0079572
wikiData Q105369514