6-(Hydroxymethyl)-6,10,17,17,20,22,23-heptamethyl-2-oxapentacyclo[12.7.1.13,11.05,10.015,20]tricos-14-en-7-ol

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Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

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Details

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Internal ID	3e11979b-58cd-49c8-80a5-05726a45f9ef
Taxonomy	Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives
IUPAC Name	6-(hydroxymethyl)-6,10,17,17,20,22,23-heptamethyl-2-oxapentacyclo[12.7.1.13,11.05,10.015,20]tricos-14-en-7-ol
SMILES (Canonical)	CC1C2CCC3=C4CC(CCC4(CC(C3C)OC1CC5C2(CCC(C5(C)CO)O)C)C)(C)C
SMILES (Isomeric)	CC1C2CCC3=C4CC(CCC4(CC(C3C)OC1CC5C2(CCC(C5(C)CO)O)C)C)(C)C
InChI	InChI=1S/C30H50O3/c1-18-20-8-9-21-19(2)23(14-25-29(21,6)11-10-26(32)30(25,7)17-31)33-24(18)16-28(5)13-12-27(3,4)15-22(20)28/h18-19,21,23-26,31-32H,8-17H2,1-7H3
InChI Key	RZWDOQONUGCDNA-UHFFFAOYSA-N
Popularity	0 references in papers

Physical and Chemical Properties

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Molecular Formula	C₃₀H₅₀O₃
Molecular Weight	458.70 g/mol
Exact Mass	458.37599545 g/mol
Topological Polar Surface Area (TPSA)	49.70 Å²
XlogP	6.90

Synonyms

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There are no found synonyms.

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.83%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	95.72%	95.93%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.59%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	94.50%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.96%	97.25%
CHEMBL1994	P08235	Mineralocorticoid receptor	92.57%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.54%	94.45%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	84.95%	95.50%
CHEMBL241	Q14432	Phosphodiesterase 3A	84.77%	92.94%
CHEMBL299	P17252	Protein kinase C alpha	84.25%	98.03%
CHEMBL221	P23219	Cyclooxygenase-1	84.12%	90.17%
CHEMBL2996	Q05655	Protein kinase C delta	83.49%	97.79%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.01%	95.89%
CHEMBL218	P21554	Cannabinoid CB1 receptor	82.35%	96.61%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.63%	86.33%
CHEMBL1871	P10275	Androgen Receptor	81.36%	96.43%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.33%	89.00%
CHEMBL5555	O00767	Acyl-CoA desaturase	81.11%	97.50%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.88%	95.89%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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