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ChEBI
> Main
CHEBI:138945 - maniladiol
Main
ChEBI Ontology
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ChEBI Name
maniladiol
ChEBI ID
CHEBI:138945
Definition
A pentacyclic triterpenoid that is olean-12-ene in which the hydrogens at the 3β and 16β positions have been replaced by hydroxy groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C30H50O2
Net Charge
0
Average Mass
442.718
Monoisotopic Mass
442.38108
InChI
InChI=1S/C30H50O2/c1-
25(2)
15-
16-
27(5)
20(17-
25)
19-
9-
10-
22-
28(6)
13-
12-
23(31)
26(3,4)
21(28)
11-
14-
29(22,7)
30(19,8)
18-
24(27)
32/h9,20-
24,31-
32H,10-
18H2,1-
8H3/t20-
,21-
,22+,23-
,24-
,27-
,28-
,29+,30+/m0/s1
InChIKey
VLRYIIPJIVGFIV-QQSFYHFXSA-N
SMILES
[C@@]
12(C([C@@]
3(CC(CC[C@@]
3([C@H]
(C1)
O)
C)
(C)
C)
[H]
)
=CC[C@]
4([C@]
2(CC[C@@]
5([C@@]
4(CC[C@@H]
(C5(C)
C)
O)
C)
[H]
)
C)
[H]
)
C
Metabolite of Species
Details
Nephelium maingayi
(NCBI:txid1277290)
Found in bark
(BTO:0001301)
. See:
PubMed
Dacryodes hopkinsii
(NCBI:txid1591303)
See:
PubMed
Taraxacum platycarpum
(NCBI:txid170727)
Found in flower
(BTO:0000469)
. See:
PubMed
Senecio chrysanthemoides
(NCBI:txid189235)
Found in whole plant
(BTO:0001461)
. See:
PubMed
Protium hebetatum
(NCBI:txid246846)
See:
PubMed
Protium heptaphyllum
(NCBI:txid246847)
See:
PubMed
Protium paniculatum
(NCBI:txid246855)
See:
PubMed
Trattinnickia glaziovii
(NCBI:txid247079)
See:
PubMed
Protium heptaphyllum
subsp.
ulei
(NCBI:txid321816)
See:
PubMed
Calendula officinalis
(NCBI:txid41496)
Found in flower
(BTO:0000469)
. See:
PubMed
Chrysanthemum morifolium
(NCBI:txid41568)
Found in flower
(BTO:0000469)
. See:
PubMed
Chrysanthemum morifolium
(NCBI:txid41568)
Found in flower
(BTO:0000469)
. See:
PubMed
Helianthus annuus
(NCBI:txid4232)
Found in flower
(BTO:0000469)
. See:
PubMed
Platycodon grandiflorus
(NCBI:txid94286)
Found in root
(BTO:0001188)
. See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antitubercular agent
A substance that kills or slows the growth of
Mycobacterium tuberculosis
and is used in the treatment of tuberculosis.
Application
(s):
antitubercular agent
A substance that kills or slows the growth of
Mycobacterium tuberculosis
and is used in the treatment of tuberculosis.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
maniladiol (
CHEBI:138945
)
has parent hydride
oleanane (
CHEBI:36481
)
maniladiol (
CHEBI:138945
)
has role
antitubercular agent (
CHEBI:33231
)
maniladiol (
CHEBI:138945
)
has role
plant metabolite (
CHEBI:76924
)
maniladiol (
CHEBI:138945
)
is a
diol (
CHEBI:23824
)
maniladiol (
CHEBI:138945
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
IUPAC Name
olean-12-ene-3β,16β-diol
Synonyms
Sources
(3β,16β)-olean-12-ene-3,16-diol
IUPAC
(3beta,16beta)-Olean-12-ene-3,16-diol
HMDB
16β-hydroxy-β-amyrin
MetaCyc
3beta,16beta-Dihydroxyolean-12-ene
KNApSAcK
maniladiol
UniProt
Manual Xrefs
Databases
C00019525
KNApSAcK
CPD-16621
MetaCyc
HMDB0034550
HMDB
View more database links
Registry Numbers
Types
Sources
3222504
Reaxys Registry Number
Reaxys
595-17-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11543977
PubMed citation
Europe PMC
11809525
PubMed citation
Europe PMC
14987059
PubMed citation
Europe PMC
15490326
PubMed citation
Europe PMC
15635183
PubMed citation
Europe PMC
20707068
PubMed citation
Europe PMC
20839613
PubMed citation
Europe PMC
2089122
PubMed citation
Europe PMC
22323110
PubMed citation
Europe PMC
23776030
PubMed citation
Europe PMC
26562182
PubMed citation
Europe PMC
27034686
PubMed citation
Europe PMC
28371833
PubMed citation
SUBMITTER
8913506
PubMed citation
Europe PMC
Last Modified
16 January 2018