CHEBI:221840 - UCN-02

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 UCN-02
ChEBI ID CHEBI:221840
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H26N4O4
Net Charge 0
Average Mass 482.540
Monoisotopic Mass 482.19541
InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
InChIKey PBCZSGKMGDDXIJ-HQCWYSJUSA-N
SMILES O=C1N[C@H](O)C=2C1=C3C=4N([C@@H]5O[C@](N6C4C2C7=C6C=CC=C7)([C@H](OC)[C@@H](C5)NC)C)C8=C3C=CC=C8
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing UCN-02 (CHEBI:221840) is a indolocarbazole (CHEBI:51915)
IUPAC Name
(2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
Manual Xrefs Databases
65225 ChemSpider
DB01933 KEGG DRUG
UCN PDBeChem
View more database links