CHEBI:199257 - 5-N-acetyl-8-isopropylardeemin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5-N-acetyl-8-isopropylardeemin
ChEBI ID CHEBI:199257
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H32N4O3
Net Charge 0
Average Mass 496.611
Monoisotopic Mass 496.24744
InChI InChI=1S/C30H32N4O3/c1-7-29(5,6)30-16-23-25-31-21-14-10-8-12-19(21)26(36)34(25)24(17(2)3)27(37)33(23)28(30)32(18(4)35)22-15-11-9-13-20(22)30/h7-15,17,23-24,28H,1,16H2,2-6H3/t23-,24+,28-,30+/m0/s1
InChIKey KQMADIVDSZQPHC-UFPVPOCKSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)[C@H]4N([C@@H]5N(C=6C=CC=CC6[C@@]5(C4)C(C=C)(C)C)C(=O)C)C([C@H]2C(C)C)=O
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing 5-N-acetyl-8-isopropylardeemin (CHEBI:199257) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1S,12R,15R,23R)-16-acetyl-23-(2-methylbut-3-en-2-yl)-12-propan-2-yl-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione
Manual Xref Database
78443497 ChemSpider
View more database links