Structure Database (LMSD)
Common Name
2,3-epoxyphylloquinone
Systematic Name
7a-methyl-1a-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
Synonyms
- 2,3-Epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone
- 2,3-Epoxyphylloquinone
3D model of 2,3-epoxyphylloquinone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KUTXFBIHPWIDJQ-HBDFACPTSA-N
InChi (Click to copy)
InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-,30?,31?/m1/s1
SMILES (Click to copy)
O1C2(C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C3C=CC=CC=3C(=O)C12C
References
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
3
Aromatic Rings
1
Rotatable Bonds
14
Van der Waals Molecular Volume
507.41
Topological Polar Surface Area
46.67
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
8.94
Molar Refractivity
141.44
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Created at
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Updated at
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