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

Details

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Internal ID 7de9f4fd-33f7-4e55-8d9d-b6ffe8fd952d
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name 5-(5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)-3-methylpent-1-en-3-ol
SMILES (Canonical) CC1(CCCC2(C1C=CC(=C)C2CCC(C)(C=C)O)C)C
SMILES (Isomeric) CC1(CCCC2(C1C=CC(=C)C2CCC(C)(C=C)O)C)C
InChI InChI=1S/C20H32O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,9-10,16-17,21H,1-2,8,11-14H2,3-6H3
InChI Key UKVIGQUHUBVMTA-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32O
Molecular Weight 288.50 g/mol
Exact Mass 288.245315640 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 5.50

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-4a,6,7,8-tetrahydro-1H-naphthalen-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 98.67% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.29% 91.11%
CHEMBL1977 P11473 Vitamin D receptor 93.01% 99.43%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 89.81% 90.93%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.49% 96.09%
CHEMBL2581 P07339 Cathepsin D 88.44% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.11% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.59% 97.09%
CHEMBL2996 Q05655 Protein kinase C delta 85.26% 97.79%
CHEMBL3401 O75469 Pregnane X receptor 84.99% 94.73%
CHEMBL1937 Q92769 Histone deacetylase 2 83.22% 94.75%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.83% 100.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.49% 91.07%

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.
Haplopappus parvifolius

Cross-Links

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PubChem 162954431
LOTUS LTS0082057
wikiData Q105274928