Alkannin

Description

Alkannin · CAS 517-88-4 · C16H16O5. UNII BDBM178090. Melting Point: 116 - 117 °C.

Identification

CAS Registry Number	517-88-4
PubChem CID	5208
Molecular formula	C16H16O5
IUPAC name	5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
UNII (FDA)	BDBM178090

Computed Descriptors

Molecular Weight	288.29
XLogP3	3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	288.09977361
Monoisotopic Mass	288.09977361
Topological Polar Surface Area	94.8
Heavy Atom Count	21
Formal Charge	0

Physical & Chemical Properties

Melting Point	116 - 117 °C

Physical description & handling notes

• Solid

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: Use unspecified ALKANET ROOT, EXTRACT (ALKANNA TINCTORIA TAUSCH)--NLFG

GHS Hazard Classification

Reported hazard statements	H302 (100%), H400 (100%)

Documented Uses

• Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Synonyms

54952-43-1; (+-)-Shikonin; RefChem:905516; SHIKALKIN; C.I. Natural Red 20; (Rac)-Shikonin; 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione; (+/-)-Shikonin; ARNEBIN-4; (+/-)-Alkannin; 5,8-DIHYDROXY-2-(1-HYDROXY-4-METHYLPENT-3-EN-1-YL)NAPHTHALENE-1,4-DIONE; MFCD00016668; 23444-65-7; KBioGR_000610; C.I. 75530; KBio3_001080

Frequently Asked Questions

What are the CAS number and molecular formula of Alkannin?

CAS 517-88-4; molecular formula C16H16O5; molecular weight — g/mol.

What other names is Alkannin known by?

54952-43-1, (+-)-Shikonin, RefChem:905516, SHIKALKIN, C.I. Natural Red 20, (Rac)-Shikonin.

What is the regulatory status of Alkannin?

Documented regulatory listings: FDA Substance added to food: Use unspecified; ALKANET ROOT, EXTRACT (ALKANNA TINCTORIA TAUSCH)--NLFG.

Is Alkannin classified as hazardous?

Hazard statements reported: H302, H400.

What are the key physical properties of Alkannin?

Melting Point: 116 - 117 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.