(+)-jasplakinolide V
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http://purl.obolibrary.org/obo/CHEBI_68278
A cyclodepsipeptide isolated from Jaspis splendens.
Term info
Label
(+)-jasplakinolide V
Synonyms
- (4R,7R,10S,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-4-(3,4-dihydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
Subsets
3_STAR
IUPAC NAME
(4R,7R,10S,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-4-(3,4-dihydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
[
IUPAC
]
charge
0
formula
C36H45BrN4O7
has obo namespace
chebi_ontology
id
CHEBI:68278
inchi
InChI=1S/C36H45BrN4O7/c1-19-13-20(2)15-22(4)48-32(44)18-28(24-11-12-30(42)31(43)16-24)40-35(46)29(17-26-25-9-7-8-10-27(25)39-33(26)37)41(6)36(47)23(5)38-34(45)21(3)14-19/h7-13,16,20-23,28-29,39,42-43H,14-15,17-18H2,1-6H3,(H,38,45)(H,40,46)/b19-13+/t20-,21-,22-,23-,28+,29+/m0/s1
inchikey
JQNJHYUNCXNUET-PTLFGHRPSA-N
mass
725.66900
monoisotopicmass
724.24716
smiles
C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)c(O)c1
Term relations
Subclass of:
- cyclodepsipeptide
- indoles
- organobromine compound
- catechols
- has role some antineoplastic agent
- has role some animal metabolite
- has role some marine metabolite