Covi-ox

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	e4ae62ae-c181-48d2-9b05-1e63e51f6192
Taxonomy	Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin E compounds > Tocopherols
IUPAC Name	(2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SMILES (Canonical)	CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
SMILES (Isomeric)	CC1=C(C2=C(CC[C@@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(=C1O)C)C
InChI	InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29+/m0/s1
InChI Key	GVJHHUAWPYXKBD-IHMCZWCLSA-N
Popularity	4 references in papers

Physical and Chemical Properties

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Molecular Formula	C₂₉H₅₀O₂
Molecular Weight	430.70 g/mol
Exact Mass	430.381080833 g/mol
Topological Polar Surface Area (TPSA)	29.50 Å²
XlogP	10.70

Synonyms

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Covi-ox

(2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

alpha Tocopherol

(2R, 4'S, 8'S)-alpha-Tocopherol

(R,S,S)-alpha-Tocopherol

NCGC00016688-02

(2R,4'S,8'S)-alpha-tocopherol

RSS-alpha-tocopherol

CHEMBL442800

SCHEMBL16451007

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
CHEMBL3902	P09211	Glutathione S-transferase Pi	500 nM	IC50	via Super-PRED
CHEMBL1293235	P02545	Prelamin-A/C	112.2 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.47%	91.11%
CHEMBL4835	P00338	L-lactate dehydrogenase A chain	90.41%	95.34%
CHEMBL2581	P07339	Cathepsin D	89.84%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.69%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.05%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.41%	90.71%
CHEMBL4681	P42330	Aldo-keto-reductase family 1 member C3	85.52%	89.05%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.71%	93.56%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.80%	95.56%
CHEMBL2996	Q05655	Protein kinase C delta	82.51%	97.79%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	81.42%	91.79%

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.

Ageratina arsenei

Ajuga reptans

Allium sativum

Amaranthus hypochondriacus

Calendula officinalis

Capsicum annuum

Caryodendron orinocense

Corylus avellana