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(Q82252251)
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English
(8S)-3-hydroxy-alpha-calacorene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-Hydroxy-3,4-dihydrocadalin
1 reference
based on heuristic
inferred from SMILES
mass
216.15141526
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(8R)-3-Hydroxy-alpha-calacorene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O
0 references
canonical SMILES
OC1=CC=2C(=CCC(C2C=C1C)C(C)C)C
0 references
isomeric SMILES
CC1=CC[C@H](C2=C1C=C(C(=C2)C)O)C(C)C
0 references
found in taxon
Heterotheca inuloides
3 references
stated in
Antiinflammatory constituents from Heterotheca inuloides
stated in
Antimicrobial agents from Heterotheca inuloides.
stated in
Anti-Inflammatory Activity of Dichloromethane Extract of Heterotheca inuloides in Vivo and in Vitro*
Heterotheca subaxillaris
1 reference
stated in
Neue cadinan-derivate aus Heterotheca subaxillaris
Identifiers
InChI
InChI=1S/C15H20O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5,7-9,12,16H,6H2,1-4H3/t12-/m0/s1
0 references
InChIKey
YZHICMXANUYYLB-LBPRGKRZSA-N
0 references
CAS Registry Number
72943-94-3
0 references
PubChem CID
10220037
1 reference
matched by identifier from
InChIKey
InChIKey
YZHICMXANUYYLB-LBPRGKRZSA-N
ChEMBL ID
CHEMBL452210
0 references
UniChem compound ID
248834
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40436905
1 reference
matched by identifier from
InChIKey
InChIKey
YZHICMXANUYYLB-LBPRGKRZSA-N
DSSTOX compound identifier
DTXCID20387729
0 references
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