Cas no 23444-65-7 (Alkannin)

Alkannin structure
Alkannin structure
Product Name:Alkannin
CAS No:23444-65-7
MF:C16H16O5
MW:288.295245170593
CID:252529
PubChem ID:72521
Update Time:2025-04-19

Alkannin Chemical and Physical Properties

Names and Identifiers

    • 1,4-Naphthalenedione,5,8-dihydroxy-6-[(1S)-1-hydroxy-4-methyl-3-penten-1-yl]-
    • (S)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
    • (S)-5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione
    • 1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)- (9ci)
    • 5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
    • Arnebin-4
    • Nsc 291845
    • SHIKALKIN
    • 5,8-Dihydroxy-6-[(1S)-1-hydroxy-4-methyl-3-penten-1-yl]-1,4-naphthalenedione
    • Alkanet extract
    • Alkanet extract, inspissated
    • Alkanna red
    • Alkannin
    • Anchusa acid
    • Anchusin
    • C.I. 75530
    • C.I. Natural Red 20
    • (S)-5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)-1,4-naphthoquinone
    • SCHEMBL33968
    • Anchusin (VAN)
    • NSC-94524
    • HY-119874
    • Cerven prirodni 20 [Czech]
    • (-)-5,8-Dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone
    • 5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-dihydronaphthalene-1,4-dione
    • 5,8-DIHYDROXY-2-((1S)-1-HYDROXY-4-METHYLPENT-3-EN-1-YL)NAPHTHALENE-1,4-DIONE
    • 23444-65-7
    • DTXSID201029621
    • 1ST165849
    • NSC 94524
    • 1,4-Naphthalenedione, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-
    • (-)-5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone
    • 5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione
    • Anchusaic acid
    • ALKANNIN(RG)
    • shikonin
    • (-)-5,8-Dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione
    • (-)-(1-Hydroxy-3-isohexenyl)naphthazarine
    • 517-88-4
    • AC-26870
    • C.I. Natural Red 20 (VAN)
    • ALKANNIN [MI]
    • BDBM50271717
    • 1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-
    • 075CRZ9995
    • CS-0078216
    • 5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione
    • CHEMBL28457
    • Alkanna red (VAN)
    • BDBM50597697
    • NSC 407295
    • Cerven prirodni 20
    • Anchusa acid (VAN)
    • 3-08-00-04089 (Beilstein Handbook Reference)
    • EINECS 208-245-7
    • BRN 3213296
    • Q418237
    • Alkannin (VAN)
    • CHEMBL4127840
    • 1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-6-(1-HYDROXY-4-METHYL-3-PENTENYL)-, (-)-
    • NS00080494
    • CHEBI:2578
    • AKOS025401887
    • Arnebin IV
    • 1,4-Naphthalenedione, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-
    • Alkannin, analytical standard
    • (S)-5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione
    • E103
    • (-)-Alkannin
    • UNII-075CRZ9995
    • C.I. 75530 (VAN)
    • 5,8-Dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, (S)-
    • 58-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-14-dione
    • AS-83713
    • PD137692
    • NEZONWMXZKDMKF-JTQLQIEISA-N
    • (-)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone; (-)-Alkannin; Alkanna red; Anchusa acid; Anchusin
    • Inchi： 1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1
    • InChI Key： NEZONWMXZKDMKF-JTQLQIEISA-N
    • SMILES： O[C@@H](C/C=C(\C)/C)C1=CC(C2C(=CC=C(C=2C1=O)O)O)=O

Computed Properties

  • Exact Mass: 288.1
  • Monoisotopic Mass: 288.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 501
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 94.8A^2
  • XLogP3: 3

Experimental Properties

  • Color/Form: No data available
  • Density: 1.373±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 149°C
  • Boiling Point: 350.53°C (rough estimate)
  • Flash Point: 311°C
  • Refractive Index: 1.6200 (estimate)
  • Solubility: Very slightly soluble (0.12 g/l) (25 o C),
  • PSA: 94.83000
  • LogP: 2.12040
  • Vapor Pressure: 0.0±1.6 mmHg at 25°C

Alkannin Security Information

Alkannin Pricemore >>

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