(+)-Dolasta-1(15),7,9-trien-14-ol

Details

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Internal ID ab60acd8-b439-4588-ac4a-64302c3c6916
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (5aR,9aR,10aS)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-1,5,6,7,8,10-hexahydrobenzo[f]azulen-9a-ol
SMILES (Canonical) CC(C)C1=CCC2(C1=CCC3(CCCC(=C)C3(C2)O)C)C
SMILES (Isomeric) CC(C)C1=CC[C@@]2(C1=CC[C@]3(CCCC(=C)[C@@]3(C2)O)C)C
InChI InChI=1S/C20H30O/c1-14(2)16-8-11-18(4)13-20(21)15(3)7-6-10-19(20,5)12-9-17(16)18/h8-9,14,21H,3,6-7,10-13H2,1-2,4-5H3/t18-,19+,20+/m0/s1
InChI Key IENFPAQBPUQGPF-XUVXKRRUSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H30O
Molecular Weight 286.50 g/mol
Exact Mass 286.229665576 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (+)-Dolasta-1(15),7,9-trien-14-ol

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 96.71% 97.25%
CHEMBL221 P23219 Cyclooxygenase-1 93.87% 90.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.65% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.55% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.94% 94.45%
CHEMBL2581 P07339 Cathepsin D 88.50% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 87.95% 94.75%
CHEMBL230 P35354 Cyclooxygenase-2 86.82% 89.63%
CHEMBL2996 Q05655 Protein kinase C delta 85.28% 97.79%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.24% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.63% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.01% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 81.88% 91.49%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.00% 97.09%

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 13969917
LOTUS LTS0041762
wikiData Q105111873