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(Q82921522)
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Procurcumenol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Hydroxy-3,8-dimethyl-5-(propan-2-ylidene)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-one
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,3aR,8aS)-3-hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Epiprocurcumenol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=C1C=C(C)C2CCC(O)(C)C2CC1=C(C)C
0 references
isomeric SMILES
CC1=CC(=O)C(=C(C)C)C[C@H]2[C@H]1CC[C@]2(C)O
0 references
found in taxon
Curculolo
3 references
stated in
Structures of sesquiterpenes from Curcuma longa
stated in
Structures of sesquiterpenes from Curcuma longa
stated in
Liquid chromatography–electrospray mass spectrometric analysis of curcuminoids and sesquiterpenoids in turmeric (Curcuma longa)
Curcuma heyneana
1 reference
stated in
Sesquiterpenes from the rhizomes of Curcuma heyneana
Curcuma phaeocaulis
1 reference
stated in
Guaiane-type sesquiterpenes from Curcuma phaeocaulis and their inhibitory effects on nitric oxide production.
Curcuma aromatica
1 reference
stated in
Structures of sesquiterpenes from Curcuma aromatica Salisb.
Curcuma zedoaria
1 reference
stated in
A curcuminoid and sesquiterpenes as inhibitors of macrophage TNF-alpha release from Curcuma zedoaria
Identifiers
InChI
InChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h7,11,13,17H,5-6,8H2,1-4H3/t11-,13-,15-/m0/s1
0 references
InChIKey
RHBOHEXDGUVIIY-WHOFXGATSA-N
0 references
CAS Registry Number
21698-40-8
1 reference
InChIKey
RHBOHEXDGUVIIY-WHOFXGATSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=21698-40-8
PubChem CID
189061
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RHBOHEXDGUVIIY-WHOFXGATSA-N
ChEBI ID
168250
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h7,11,13,17H,5-6,8H2,1-4H3/t11-,13-,15-/m0/s1
UniChem compound ID
32793616
1 reference
stated in
UniChem
NMRShiftDB structure ID
20170933
1 reference
matched by identifier from
InChIKey
InChIKey
RHBOHEXDGUVIIY-WHOFXGATSA-N
DSSTox substance ID
DTXSID80944312
1 reference
matched by identifier from
InChIKey
InChIKey
RHBOHEXDGUVIIY-WHOFXGATSA-N
DSSTOX compound identifier
DTXCID901372659
0 references
UNII
C46YDH55ZN
1 reference
matched by identifier from
InChIKey
InChIKey
RHBOHEXDGUVIIY-WHOFXGATSA-N
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