Occidentalol

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	8759f573-c0cd-4543-9d0b-e59f122053f0
Taxonomy	Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
IUPAC Name	2-[(2R,4aR,8aS)-4a,8-dimethyl-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl]propan-2-ol
SMILES (Canonical)	CC1=CC=CC2(C1CC(CC2)C(C)(C)O)C
SMILES (Isomeric)	CC1=CC=C[C@@]2([C@H]1C[C@@H](CC2)C(C)(C)O)C
InChI	InChI=1S/C15H24O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h5-6,8,12-13,16H,7,9-10H2,1-4H3/t12-,13+,15+/m1/s1
InChI Key	AMZWKSYAMHGGSR-IPYPFGDCSA-N
Popularity	0 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₅H₂₄O
Molecular Weight	220.35 g/mol
Exact Mass	220.182715385 g/mol
Topological Polar Surface Area (TPSA)	20.20 Å²
XlogP	3.40

Synonyms

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(+)-Occidentalol

Occidentalol, (+)-

M413F1EX1M

UNII-M413F1EX1M

473-17-6

(2R,4aR,8aS)-1,2,3,4,4a,8a-Hexahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol

2-Naphthalenemethanol, 1,2,3,4,4a,8a-hexahydro-alpha,alpha,4a,8-tetramethyl-, (2R,4aR,8aS)- 10alpha-eudesma-1,3-dien-11-ol

SCHEMBL6511459

AMZWKSYAMHGGSR-IPYPFGDCSA-N

Q27896794

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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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	97.78%	97.25%
CHEMBL1871	P10275	Androgen Receptor	93.47%	96.43%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.16%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.21%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.83%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.54%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.05%	95.89%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	82.61%	93.04%
CHEMBL2996	Q05655	Protein kinase C delta	82.01%	97.79%
CHEMBL1937	Q92769	Histone deacetylase 2	81.91%	94.75%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	81.51%	94.62%
CHEMBL4040	P28482	MAP kinase ERK2	81.20%	83.82%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.90%	95.56%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	80.58%	90.93%

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.