AG0037CY

517-89-5 | 5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione

AG0037CY

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CAS Number	517-89-5
Catalog Number	AG0037CY(AGN-PC-0SB8QC)
Chemical Name	5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione
IUPAC Name	5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione
InChI	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-/m1/s1
InChI Key	NEZONWMXZKDMKF-SNVBAGLBSA-N
MDL Number	MFCD00075680
Molecular Formula	C16H16O5
Molecular Weight	288.2952
SMILES	OC1=C2C(C=C(C(C2=C(C=C1)O)=O)[C@@H](CC=C(C)C)O)=O
Synonyms	1,4-naphthalenedione, 5,8-dihydroxy-2-((1R)-1-hydroxy-4-methyl-3-penten-1-yl)-, 1,4-naphthalenedione, 5,8-dihydroxy-2-((1r)-1-hydroxy-4-methyl-3-pentenyl)-, 1,4-naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-, 1,4-naphthoquinone, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (+)-, 2-((1R)-1-hydroxy-4-methyl-3-pentenyl)-5,8-dihydroxy-1,4-naphthoquinone, 5,8-dihydroxy-2-((1R)-1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthalenedione, isoarnebin 4, shikonin, shikonin, (+)-isomer, shikonin, 517-89-5, (R)-5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione, Isoarnebin 4, (-)-Shikonin, Tokyo Violet, 5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione, (+)-Shikonin, NSC 252844, CHEBI:81068, CCRIS 6492, Shikonin S, 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-dihydronaphthalene-1,4-dione, BRN 2058010, (R)-(+)-Shikonin, SR-05000001466, (+)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone, HSDB 8100, Shikonin,(S), AC1LA0SH, AC1Q6B9B, SCHEMBL33969, BSPBio_001270, MLS006010149, CTK4J4851, KS-00001FJP, DTXSID30199653, 1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-, 1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-2-(1-HYDROXY-4-METHYL-3-PENTENYL)-, (+)-, 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione, NEZONWMXZKDMKF-SNVBAGLBSA-N, HMS1792P11, HMS1990P11, HMS2089L09, HMS3403P11, HY-N0822, ZINC2015152, ANW-73225, MFCD00075680, s8279, 5,8-dihydroxy-2-[(1r)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-naphthoquinone, AKOS015900416, CCG-208272, CS-5906, RL03907, NCGC00163489-01, NCGC00163489-02, NCGC00163489-04, AC-26871, AJ-32590, AS-13554, BP-30212, CJ-31254, I664, SMR002530673, AB0013814, ST2402660, TR-031448, FT-0651798, N1643, N2643, C17412, W-2767, 517S895, J-502235, SR-05000001466-1, SR-05000001466-3, 1,4-Naphthalenedione, 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-pentenyl]-, 1,4-Naphthalenedione,5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-penten-1-yl]-, Shikonine, Alkannin, Anchusin, Anchusa acid, Alkanna Red, UNII-3IK6592UBW, CHEMBL9470, 3IK6592UBW, C16H16O5, AR-1G6415, CID479503, NSC252844, C.I. 75535, ACN-035770, C16-H16-O5, Shikonin, 99%, from Lithospermum erythrorhizon Sieb., (R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione, 5,8-Dihydroxy-2-[ -1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione, 5,8-Dihydroxy-2-((R)-1-hydroxy-4-methyl-pent-3-enyl)-[1,4]naphthoquinone, 517-88-4, 52091-99-3,

Complexity	501
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	288.1g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	288.299g/mol
Monoisotopic Mass	288.1g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	94.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H412
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

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