5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-en-1-ol

Details

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Internal ID dda839e3-ab31-4cfd-812f-e85d1c15e97e
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name 5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-en-1-ol
SMILES (Canonical) CC(=CCO)CCC1C(=C)CCC2C1(CCCC2(C)C)C
SMILES (Isomeric) CC(=CCO)CCC1C(=C)CCC2C1(CCCC2(C)C)C
InChI InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18,21H,2,6-10,12-14H2,1,3-5H3
InChI Key NERNKRPBSOBEHC-UHFFFAOYSA-N
Popularity 0 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 6.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-en-1-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 96.66% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 95.78% 97.25%
CHEMBL1977 P11473 Vitamin D receptor 92.48% 99.43%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 89.55% 95.50%
CHEMBL1994 P08235 Mineralocorticoid receptor 89.28% 100.00%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 87.08% 82.69%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.37% 94.45%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.96% 97.09%
CHEMBL4370 P16662 UDP-glucuronosyltransferase 2B7 82.70% 100.00%
CHEMBL233 P35372 Mu opioid receptor 81.68% 97.93%
CHEMBL1951 P21397 Monoamine oxidase A 81.10% 91.49%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.02% 95.89%
CHEMBL1937 Q92769 Histone deacetylase 2 80.47% 94.75%
CHEMBL2581 P07339 Cathepsin D 80.34% 98.95%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.02% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.00% 96.09%

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.
Cryptomeria japonica
Erythroxylum deciduum
Pinus koraiensis
Ruppia maritima
Zanthoxylum nitidum

Cross-Links

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PubChem 71405085
LOTUS LTS0139853
wikiData Q105178134