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> Main
CHEBI:66081 - integric acid
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ChEBI Name
integric acid
ChEBI ID
CHEBI:66081
Definition
An eremophilane sesquiterpenoid with anti-HIV-1 activity. It is isolated from
Xylaria
sp. MF6254.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H34O6
Net Charge
0
Average Mass
430.53390
Monoisotopic Mass
430.23554
InChI
InChI=1S/C25H34O6/c1-
6-
7-
8-
15(2)
11-
16(3)
24(30)
31-
22-
10-
9-
19(23(28)
29)
25(5)
13-
18(17(4)
14-
26)
21(27)
12-
20(22)
25/h11-
12,14-
15,18-
19,22H,4,6-
10,13H2,1-
3,5H3,(H,28,29)
/b16-
11+/t15-
,18-
,19+,22+,25+/m0/s1
InChIKey
UIXJDFDDMXCJCT-DVRXSGNOSA-N
SMILES
CCCC[C@H](C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@@H](C(=C)C=O)C(=O)C=C12
Metabolite of Species
Details
Xylaria
(NCBI:txid37991)
of strain MF 6254 See:
DOI
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
HIV-1 integrase inhibitor
An inhibitor of HIV-1 integrase, an enzyme required for the integration of the genetic material of the retrovirus into the DNA of the infected cells.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
integric acid (
CHEBI:66081
)
has role
HIV-1 integrase inhibitor (
CHEBI:67268
)
integric acid (
CHEBI:66081
)
has role
metabolite (
CHEBI:25212
)
integric acid (
CHEBI:66081
)
is a
carboxylic ester (
CHEBI:33308
)
integric acid (
CHEBI:66081
)
is a
cyclic ketone (
CHEBI:3992
)
integric acid (
CHEBI:66081
)
is a
dioxo monocarboxylic acid (
CHEBI:35951
)
integric acid (
CHEBI:66081
)
is a
enal (
CHEBI:51688
)
integric acid (
CHEBI:66081
)
is a
enone (
CHEBI:51689
)
integric acid (
CHEBI:66081
)
is a
eremophilane sesquiterpenoid (
CHEBI:36753
)
IUPAC Name
(1
S
,4
R
,7
S
,8a
R
)-
4-
{[(2
E
,4
S
)-
2,4-
dimethyloct-
2-
enoyl]oxy}-
8a-
methyl-
6-
oxo-
7-
(3-
oxoprop-
1-
en-
2-
yl)-
1,2,3,4,6,7,8,8a-
octahydronaphthalene-
1-
carboxylic acid
Registry Number
Type
Source
19897595
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10335400
PubMed citation
Europe PMC
10698443
PubMed citation
Europe PMC
10934347
PubMed citation
Europe PMC
14529524
PubMed citation
Europe PMC
19860426
PubMed citation
Europe PMC
Last Modified
02 October 2012