jasplakinolide Q
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http://purl.obolibrary.org/obo/CHEBI_68272
A cyclodepsipeptide isolated from Jaspis splendens.
Term info
Label
jasplakinolide Q
Synonyms
- (4R,7R,10S,13S,15E,17R,19S)-4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-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)-4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
[
IUPAC
]
charge
0
formula
C36H46N4O6
has obo namespace
chebi_ontology
id
CHEBI:68272
inchi
InChI=1S/C36H46N4O6/c1-21-15-22(2)17-24(4)46-33(42)19-31(26-11-13-28(41)14-12-26)39-35(44)32(18-27-20-37-30-10-8-7-9-29(27)30)40(6)36(45)25(5)38-34(43)23(3)16-21/h7-15,20,22-25,31-32,37,41H,16-19H2,1-6H3,(H,38,43)(H,39,44)/b21-15+/t22-,23-,24-,25-,31+,32+/m0/s1
inchikey
PWHMXYJBGYEDHW-RWGHOPJMSA-N
mass
630.77360
monoisotopicmass
630.34174
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[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Term relations
Subclass of:
- cyclodepsipeptide
- indoles
- phenols
- has role some antineoplastic agent
- has role some animal metabolite
- has role some marine metabolite