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CHEBI:69939 - Dentatin
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ChEBI Ontology
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ChEBI Name
Dentatin
ChEBI ID
CHEBI:69939
Definition
A natural product found in
Clausena harmandiana
.
Stars
This entity has been manually annotated by a third party.
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Formula
C20H22O4
Net Charge
0
Average Mass
326.38630
Monoisotopic Mass
326.15181
InChI
InChI=1S/C20H22O4/c1-
7-
19(2,3)
15-
17-
12(8-
9-
14(21)
23-
17)
16(22-
6)
13-
10-
11-
20(4,5)
24-
18(13)
15/h7-
11H,1H2,2-
6H3
InChIKey
QBFYQVZGIDUNIY-UHFFFAOYSA-N
SMILES
COc1c2C=CC(C)(C)Oc2c(c2oc(=O)ccc12)C(C)(C)C=C
Metabolite of Species
Details
Clausena harmandiana
(NCBI:txid159036)
Found in root
(BTO:0001188)
. Crude ethyl acetate extract of air-dried, powdered roots. 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Dentatin (
CHEBI:69939
)
has role
metabolite (
CHEBI:25212
)
Dentatin (
CHEBI:69939
)
is a
coumarins (
CHEBI:23403
)
Synonyms
Sources
10-(1,1-Dimethyl-allyl)-5-methoxy-8,8-dimethyl-8H-pyrano(3,2-g)chromen-2-one
ChEBI
Poncitrin
ChEBI
Registry Number
Type
Source
22980-57-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
21302964
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:chromenes(CHEBI:23232); ISA:1-benzopyran(CHEBI:38443); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:pyranone(CHEBI:37963); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactone(CHEBI:25000);