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CHEBI:62416 - dammarenediol-II

ChEBI IDCHEBI:62416
ChEBI Namedammarenediol-II
Stars
DefinitionA tetracyclic triterpenoid that is dammarane which has a double bond between positions 24 and 25, and is substituted by hydroxy groups at the 3β- and 20- positions.
Last Modified1 November 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H52O2
Net Charge0
Average Mass444.744
Monoisotopic Mass444.39673
SMILES[H][C@]12CC[C@]3([H])[C@@]([H])([C@@](C)(O)CCC=C(C)C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1
InChIKeyNLHQJXWYMZLQJY-TXNIMPHESA-N
Species of MetaboliteComponentSourceComments
Aglaia abbreviata (IPNI:576946-1) stem (BTO:0001300) PubMed (21087017) 95% ethanolic extract of air-dried stems
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
dammarenediol-II (CHEBI:62416) has parent hydride dammarane (CHEBI:36488)
dammarenediol-II (CHEBI:62416) has role metabolite (CHEBI:25212)
dammarenediol-II (CHEBI:62416) is a secondary alcohol (CHEBI:35681)
dammarenediol-II (CHEBI:62416) is a tertiary alcohol (CHEBI:26878)
dammarenediol-II (CHEBI:62416) is a tetracyclic triterpenoid (CHEBI:26893)
Incoming Relation(s)
(20S)-20-O-(β-D-glucosyl)-3-hydroxydammarene (CHEBI:142484) has functional parent dammarenediol-II (CHEBI:62416)
IUPAC Name 
(3β)-dammar-24-ene-3,20-diol
Synonyms  Source
3β-glucodammar-24-ene-3,20-diolChemIDplus
dammar-24-ene-3β,20-diolChemIDplus
dammarenediolChemIDplus
dammarenediol IIChemIDplus
(20S)-dammar-24-ene-3β,20-diolChEBI
8-methyl-18-nor-lanost-24-en-3β,20-diolChEBI
UniProt Name  Source
dammarenediol-IIUniProt
Registry NumbersSources
Reaxys:2511034Reaxys
CAS:14351-29-2ChemIDplus
Citations