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Danshenol A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
15-Epi-Danshenol-A
1 reference
based on heuristic
inferred from SMILES
mass
336.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,10S)-10-Hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀O₄
0 references
canonical SMILES
O=C1C2=C(OCC2C)C=3C=CC4=C(C=CC=C4C)C3C1(O)CC(=O)C
0 references
isomeric SMILES
C[C@H]1COC2=C1C(=O)[C@@](C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O
0 references
found in taxon
Salvia glutinosa
3 references
stated in
Diterpenoids from Salvia glutinosa, S. austriaca, S. tomentosa and S. verticillata roots
stated in
Danshenol-A and 15-epi-danshenol-A from the roots of Salvia glutinosa
stated in
Diterpenoids from Salvia glutinosa, S. austriaca, S. tomentosa and S. verticillata roots
Salvia miltiorrhiza
2 references
stated in
Aldose reductase inhibitory constituents of the root of Salvia miltiorhiza Bunge
stated in
Danshenols A and B, New Aldose Reductase Inhibitors from the Root of Salvia miltiorhiza BUNGE.
Identifiers
InChI
InChI=1S/C21H20O4/c1-11-5-4-6-15-14(11)7-8-16-18(15)21(24,9-13(3)22)20(23)17-12(2)10-25-19(16)17/h4-8,12,24H,9-10H2,1-3H3/t12-,21-/m0/s1
0 references
InChIKey
WQYKPUPMMFGHQW-QKVFXAPYSA-N
0 references
CAS Registry Number
189308-08-5
0 references
PubChem CID
3083514
1 reference
matched by identifier from
InChIKey
InChIKey
WQYKPUPMMFGHQW-QKVFXAPYSA-N
UniChem compound ID
32030925
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20172334
1 reference
matched by identifier from
InChIKey
InChIKey
WQYKPUPMMFGHQW-QKVFXAPYSA-N
DSSTOX compound identifier
DTXCID4094825
0 references
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