Delta-Tocotrienol

PubChem CID: 5282350

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Compound Synonyms	delta-Tocotrienol, 25612-59-3, Tocotrienol, delta, 8-Methyltocotrienol, .delta.-Tocotrienol, (R)-delta-Tocotrienol, (R)-.delta.-Tocotrienol, 1SRB74OWSI, D-DELTA-TOCOTRIENOL, (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol, CHEBI:33276, DTXSID30180288, DELTA TOCOTRIENOL [WHO-DD], (R)-2,8-Dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)chroman-6-ol, J17.358D, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (R-(E,E))-, 2R,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol, (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol, (R-(E,E))-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol, 2H-1-BENZOPYRAN-6-OL, 3,4-DIHYDRO-2,8-DIMETHYL-2-((3E,7E)-4,8,12-TRIMETHYL-3,7,11-TRIDECATRIEN-1-YL)-, (2R)-, 2H-1-BENZOPYRAN-6-OL, 3,4-DIHYDRO-2,8-DIMETHYL-2-((3E,7E)-4,8,12-TRIMETHYL-3,7,11-TRIDECATRIENYL)-, (2R)-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-, 2H-1-benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)-, UNII-1SRB74OWSI, Delta-tocotrienols, delta -Tocotrienol, (2R)-2,8-dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-2H-1-benzopyran-6-ol, (2R)-2,8-dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-2H-chromen-6-ol, (2R)-2,8-dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol, (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol, 2R,8-dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-2H-chromen-6-ol, R-delta-tocotrienol, DELTA TOCOTRIENOL, BIDD:PXR0041, CHEMBL121305, SCHEMBL8408117, SCHEMBL16430161, DTXCID40102779, HMS3650C18, LMPR02020056, delta-Tocotrienol, analytical standard, AKOS040760094, HY-122778R, NCGC00253541-03, AS-82630, FT138269, HY-122778, CS-0089253, NS00027923, G13725, SR-01000946270, SR-01000946270-1, BRD-K85776940-001-01-9, Q27104272, 2,8-Dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-6-chromanol, 6-Chromanol, 2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, 6-Chromanol, 2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)- (7CI,8CI), 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI), 3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol, 9CI, 607-758-7
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2CCCCC2C1
Np Classifier Class	Prenyl quinone meroterpenoids
Deep Smiles	C/C=CCC[C@]C)CCccO6)cC)ccc6)O))))))))))))/CC/C=C/CCC=CC)C)))))C
Heavy Atom Count	29.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC2OCCCC2C1
Classyfire Subclass	Quinone and hydroquinone lipids
Isotope Atom Count	0.0
Molecular Complexity	596.0
Database Name	cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Uniprot Id	n.a., P0DTD1
Iupac Name	(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
Prediction Hob	1.0
Class	Prenol lipids
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	8.6
Superclass	Lipids and lipid-like molecules
Subclass	Quinone and hydroquinone lipids
Gsk 4 400 Rule	False
Molecular Formula	C27H40O2
Scaffold Graph Node Bond Level	c1ccc2c(c1)CCCO2
Prediction Swissadme	0.0
Inchi Key	ODADKLYLWWCHNB-LDYBVBFYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.5555555555555556
Logs	-5.31
Rotatable Bond Count	9.0
Logd	5.668
Synonyms	(2R)-2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol, Δ-tocotrienol, Tocotrienol, delta, (2R)-3,4-Dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2H-1-benzopyran-6-ol, (R)-delta-Tocotrienol, (R)-Δ-tocotrienol, 8-Methyltocotrienol, D-delta-Tocotrienol, D-Δ-tocotrienol, delta-Tocotrienol, delta-tocotrienol, δ-tocotrienol
Esol Class	Moderately soluble
Functional Groups	C/C=C(/C)C, CC=C(C)C, cO, cOC
Compound Name	Delta-Tocotrienol
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	396.303
Formal Charge	0.0
Monoisotopic Mass	396.303
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	396.6
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	2.0
Molecular Framework	Aromatic heteropolycyclic compounds
Lipinski Rule Of 5	True
Esol	-7.263516448275863
Inchi	InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1
Smiles	CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O
Nring	2.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	2.0
Egan Rule	False
Taxonomy Direct Parent	Tocotrienols
Np Classifier Superclass	Meroterpenoids

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144. Outgoing r'ship FOUND_IN to/from Zataria Multiflora (Plant) Rel Props:Reference:

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Delta-Tocotrienol

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Phytochemical Properties

Associated Connections 144

Plant Connections 144