CHEBI:138945 - maniladiol

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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Definition A pentacyclic triterpenoid that is olean-12-ene in which the hydrogens at the 3β and 16β positions have been replaced by hydroxy groups.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
Download Molfile XML SDF
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 Waiting for 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