Deoxyshikonin
Properties
- Molecular formula
- C16H16O4
- Molar mass
- 272.30 g/mol
- Exact mass
- 272.1049 Da
- Melting point
- 94–95 °C
- logP
- 3.15Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
43043-74-9SMILES
CC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2C1=OInChIKey
VOMDIEGPEURZJO-UHFFFAOYSA-NInChI
InChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-3-penten-1-yl)-
- 1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-3-pentenyl)-
- 5,8-Dihydroxy-2-(4-methyl-3-penten-1-yl)-1,4-naphthalenedione
- Arnebin 7
- Arnebin VII
- Shikonin, deoxy-
- Deoxyalkannin
- Alkannin, deoxy-
- NSC 179184
- 11-Deoxyalkannin
- Anhydroalkanin
Work with Deoxyshikonin
Similar compounds
Alkannin517-88-458 % similar
Shikonin517-89-558 % similar
Acetylshikonin24502-78-153 % similar
Beta,beta-Dimethylacrylshikonin24502-79-252 % similar
Plumbagin481-42-542 % similar
Naphthazarin475-38-741 % similar
2,3-Dichloro-5,8-dihydroxy-1,4-naphthoquinone14918-69-536 % similar
Geranic acid459-80-335 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds