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(Q105173947)
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beta-Hydroxyisovalerylshikonin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Alkannin-beta-hydroxyisovalerate
1 reference
based on heuristic
inferred from SMILES
mass
388.152203108
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₄O₇
0 references
canonical SMILES
O=C1C=C(C(=O)C=2C(O)=CC=C(O)C12)C(OC(=O)CC(O)(C)C)CC=C(C)C
0 references
isomeric SMILES
CC(C)=CC[C@@H](OC(=O)CC(C)(C)O)C1=CC(=O)c2c(O)ccc(O)c2C1=O
0 references
found in taxon
Lithospermum erythrorhizon
5 references
stated in
Human ACAT inhibitory effects of shikonin derivatives from Lithospermum erythrorhizon.
stated in
Human ACAT inhibitory effects of shikonin derivatives from Lithospermum erythrorhizon.
stated in
Shikonin production by p-fluorophenylalanine resistant cells of Lithospermum erythrorhizon
stated in
Physical stability of shikonin derivatives from the roots of Lithospermum erythrorhizon cultivated in Korea.
stated in
Tigloylshikonin, a new minor Shikonin derivative, from the roots and the commercial root extract of lithospermum erythrorhizon
Onosma paniculata
1 reference
stated in
Naphthoquinones from Onosma paniculata induce cell-cycle arrest and apoptosis in melanoma Cells.
Echium plantagineum
1 reference
stated in
Formation of stereoisomeric mixtures of naphthoquinone derivatives in Echium lycopsis callus cultures
Identifiers
InChI
InChI=1S/C21H24O7/c1-11(2)5-8-16(28-17(25)10-21(3,4)27)12-9-15(24)18-13(22)6-7-14(23)19(18)20(12)26/h5-7,9,16,22-23,27H,8,10H2,1-4H3/t16-/m1/s1
0 references
InChIKey
MXANJRGHSFELEJ-MRXNPFEDSA-N
0 references
PubChem CID
479502
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MXANJRGHSFELEJ-MRXNPFEDSA-N
SureChEMBL ID
SCHEMBL842120
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MXANJRGHSFELEJ-MRXNPFEDSA-N
UniChem compound ID
292718
1 reference
stated in
UniChem
Probes And Drugs ID
PD125324
0 references
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