12,12-Dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraen-5-ol

Details

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Internal ID 34f244dc-9d8c-4ee3-a8af-52349033d7cd
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraen-5-ol
SMILES (Canonical) CC(C)C1=C(C=C2CC3=CCCC(C3CCC2=C1)(C)C)O
SMILES (Isomeric) CC(C)C1=C(C=C2CC3=CCCC(C3CCC2=C1)(C)C)O
InChI InChI=1S/C20H28O/c1-13(2)17-11-14-7-8-18-15(6-5-9-20(18,3)4)10-16(14)12-19(17)21/h6,11-13,18,21H,5,7-10H2,1-4H3
InChI Key GSLVTONCLQJXSA-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H28O
Molecular Weight 284.40 g/mol
Exact Mass 284.214015512 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 5.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 12,12-Dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraen-5-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.39% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.68% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.56% 94.45%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.57% 97.25%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.69% 99.15%
CHEMBL2581 P07339 Cathepsin D 88.56% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.86% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.85% 90.71%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.31% 100.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.21% 93.40%
CHEMBL4444 P04070 Vitamin K-dependent protein C 87.04% 93.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.68% 97.09%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 86.34% 91.79%
CHEMBL4208 P20618 Proteasome component C5 85.79% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.49% 95.56%
CHEMBL3038469 P24941 CDK2/Cyclin A 85.00% 91.38%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 84.98% 96.77%
CHEMBL5203 P33316 dUTP pyrophosphatase 84.74% 99.18%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 84.67% 91.03%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 84.08% 96.21%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 83.70% 82.69%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.41% 92.94%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.38% 93.03%

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.
Chamaecyparis formosensis
Chamaecyparis pisifera
Salvia przewalskii

Cross-Links

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PubChem 11011523
LOTUS LTS0165680
wikiData Q105017304