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> Main
CHEBI:66725 - Panduratin A
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ChEBI Ontology
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ChEBI Name
Panduratin A
ChEBI ID
CHEBI:66725
Definition
A natural product found in
Kaempferia pandurata
.
Stars
This entity has been manually annotated by a third party.
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Formula
C26H30O4
Net Charge
0
Average Mass
406.51400
Monoisotopic Mass
406.21441
InChI
InChI=1S/C26H30O4/c1-
16(2)
10-
12-
20-
17(3)
11-
13-
21(18-
8-
6-
5-
7-
9-
18)
24(20)
26(29)
25-
22(27)
14-
19(30-
4)
15-
23(25)
28/h5-
11,14-
15,20-
21,24,27-
28H,12-
13H2,1-
4H3/t20-
,21+,24-
/m1/s1
InChIKey
LYDZCXVWCFJAKQ-ZFGGDYGUSA-N
SMILES
COc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c(O)c1
Metabolite of Species
Details
Kaempferia pandurata
(IPNI:797186-1)
Found in rhizome
(BTO:0001181)
. See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
diarylheptanoid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Panduratin A (
CHEBI:66725
)
has role
metabolite (
CHEBI:25212
)
Panduratin A (
CHEBI:66725
)
is a
diarylheptanoid (
CHEBI:78802
)
Synonym
Source
(2,6-
dihydroxy-
4-
methoxyphenyl)[(1R,2S,6R)-
3-
methyl-
2-
(3-
methylbut-
2-
en-
1-
yl)-
6-
phenylcyclohex-
3-
en-
1-
yl]methanone
ChEBI
Citation
Type
Source
15930750
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:carboxylic ester(CHEBI:33308); HFP:phloroglucinol(CHEBI:16204); ISA:monoterpenoid(CHEBI:25409); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:acetophenones(CHEBI:22187); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:resorcinols(CHEBI:33572); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);