(1R,2E,4R,7E,11S,12R)-18-hydroxy-2,7-dolabelladiene

Details

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Internal ID db23a5f1-ce57-4779-802d-bd74e46f4d02
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Dolabellane and neodolabellane diterpenoids
IUPAC Name 2-[(1R,3aR,4E,6R,9E,12aS)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-1-yl]propan-2-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H34O/c1-15-7-6-8-16(2)11-13-20(5)14-12-17(19(3,4)21)18(20)10-9-15/h7,11,13,16-18,21H,6,8-10,12,14H2,1-5H3/b13-11+,15-7+/t16-,17-,18+,20+/m1/s1
InChI Key DPKKEAURYKNYJG-CUDBNEOOSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H34O
Molecular Weight 290.50 g/mol
Exact Mass 290.260965704 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 5.50

Synonyms

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Q27138301

2D Structure

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2D Structure of (1R,2E,4R,7E,11S,12R)-18-hydroxy-2,7-dolabelladiene

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 99.60% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.35% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 90.97% 91.49%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.24% 97.09%
CHEMBL1871 P10275 Androgen Receptor 88.11% 96.43%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.03% 95.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.68% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.68% 96.09%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 83.81% 90.93%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 83.06% 93.40%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.71% 89.00%
CHEMBL218 P21554 Cannabinoid CB1 receptor 81.31% 96.61%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.16% 100.00%
CHEMBL2996 Q05655 Protein kinase C delta 81.11% 97.79%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.12% 92.94%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.03% 86.33%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 15715160
LOTUS LTS0098104
wikiData Q27138301