5-[2-(Hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol

Details

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Internal ID 0297b10d-a46c-4109-90a1-156c2a2ab4c9
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name 5-[2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
SMILES (Canonical) CC1(CCCC2(C1CC=C(C2CCC(C)(C=C)O)CO)C)C
SMILES (Isomeric) CC1(CCCC2(C1CC=C(C2CCC(C)(C=C)O)CO)C)C
InChI InChI=1S/C20H34O2/c1-6-19(4,22)13-10-16-15(14-21)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17,21-22H,1,7,9-14H2,2-5H3
InChI Key JUENCELUXPMFLV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H34O2
Molecular Weight 306.50 g/mol
Exact Mass 306.255880323 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-[2-(Hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-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 98.49% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.36% 91.11%
CHEMBL1977 P11473 Vitamin D receptor 93.75% 99.43%
CHEMBL2581 P07339 Cathepsin D 87.89% 98.95%
CHEMBL2996 Q05655 Protein kinase C delta 87.63% 97.79%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.01% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.71% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 85.49% 94.73%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.02% 100.00%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 83.44% 90.93%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.32% 86.33%
CHEMBL233 P35372 Mu opioid receptor 83.30% 97.93%
CHEMBL4370 P16662 UDP-glucuronosyltransferase 2B7 82.68% 100.00%
CHEMBL1841 P06241 Tyrosine-protein kinase FYN 81.58% 81.29%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.37% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.20% 95.89%
CHEMBL1937 Q92769 Histone deacetylase 2 80.20% 94.75%

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.
Sagittaria sagittifolia

Cross-Links

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PubChem 162994950
LOTUS LTS0081213
wikiData Q105135189