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English
Hydroxytanshinone
group of stereoisomers with the chemical formula C₁₉H₁₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
norabietanes
1 reference
inferred from
norabietanes
chemical structure
Hydroxytanshinone IIA.svg
895 × 940; 17 KB
0 references
mass
310.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₈O₄
0 references
canonical SMILES
O=C1C(=O)C2=C(C=CC3=C2C(O)CCC3(C)C)C=4OC=C(C14)C
0 references
found in taxon
Salvia przewalskii
1 reference
stated in
Chemical Constituents of Salvia przewalskii Maxim.
Salvia sclarea
1 reference
stated in
Manool from Salvia sclarea
Identifiers
InChI
InChI=1S/C19H18O4/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,8,12,20H,6-7H2,1-3H3
0 references
InChIKey
UPCWCCRFMPIOAP-UHFFFAOYSA-N
0 references
CAS Registry Number
18887-18-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5318349
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
174236
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H18O4/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,8,12,20H,6-7H2,1-3H3
UniChem compound ID
32023252
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201314884
1 reference
matched by identifier from
InChIKey
InChIKey
UPCWCCRFMPIOAP-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0036635
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UPCWCCRFMPIOAP-UHFFFAOYSA-N
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zhwiki
羟基丹参酮IIA
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