Acetylshikonin
Properties
- Molecular formula
- C18H18O6
- Molar mass
- 330.34 g/mol
- Exact mass
- 330.1103 Da
- logP
- 2.69Crippen estimate
- Polar surface area
- 100.9 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 4
- Stereocentres
- Rin SMILES atom order
Identifiers
CAS number
24502-78-1SMILES
CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=OInChIKey
WNFXUXZJJKTDOZ-OAHLLOKOSA-NInChI
InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3/t15-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1,4-Naphthalenedione, 2-[(1R)-1-(acetyloxy)-4-methyl-3-penten-1-yl]-5,8-dihydroxy-
- 1,4-Naphthoquinone, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, 2-acetate, (+)-
- 1,4-Naphthalenedione, 2-[1-(acetyloxy)-4-methyl-3-pentenyl]-5,8-dihydroxy-, (R)-
- 1,4-Naphthalenedione, 2-[(1R)-1-(acetyloxy)-4-methyl-3-pentenyl]-5,8-dihydroxy-
- 2-[(1R)-1-(Acetyloxy)-4-methyl-3-penten-1-yl]-5,8-dihydroxy-1,4-naphthalenedione
- NSC 110199
- (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate
Work with Acetylshikonin
Similar compounds
β,β-Dimethylacrylshikonin24502-79-279 % similar
Alkannin517-88-471 % similar
Shikonin517-89-571 % similar
Deoxyshikonin43043-74-953 % similar
Plumbagin481-42-539 % similar
Naphthazarin475-38-735 % similar
Isobavachalcone20784-50-334 % similar
Xanthohumol6754-58-133 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds