1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-

Details

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Internal ID d6f50ac7-d0a1-4d11-ab6d-aa74ff269c79
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h13,16H,5-10H2,1-4H3
InChI Key STRABSCAWZINIF-UHFFFAOYSA-N
Popularity 19 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O
Molecular Weight 222.37 g/mol
Exact Mass 222.198365449 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.90

Synonyms

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473-04-1
186374-63-0
7(11)-Selinen-4.alpha.-ol
(+)-Selin-7(11)-en-4.alpha.-ol
53840-55-4
1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol
1,4a-Dimethyl-7-(1-methylethylidene)decahydro-1-naphthalenol #
DTXSID50334584
CHEBI:167358
STRABSCAWZINIF-UHFFFAOYSA-N
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-

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 93.09% 91.11%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.77% 92.94%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.91% 96.09%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 87.69% 82.69%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 85.54% 85.30%
CHEMBL253 P34972 Cannabinoid CB2 receptor 82.96% 97.25%
CHEMBL2996 Q05655 Protein kinase C delta 80.54% 97.79%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.40% 100.00%

Cross-Links

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PubChem 521214
LOTUS LTS0123520
wikiData Q67879974