CHEBI:66180 - sch 54445

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sch 54445
ChEBI ID CHEBI:66180
Definition An organic heteroheptacyclic compound isolated from the fermentation culture broth of Actinoplanes sp. It is a broad-spectrum antifungal agent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H29ClN2O9
Net Charge 0
Average Mass 597.01200
Monoisotopic Mass 596.15616
InChI InChI=1S/C30H29ClN2O9/c1-4-10(2)13-7-11-18(30(38)33(13)32)24(35)17-12(23(11)31)8-16-20-21(17)26(37)22-25(36)19-14(34)5-6-15(39-3)27(19)42-29(22)28(20)41-9-40-16/h5-7,10,14-16,19,27,34-35,37H,4,8-9,32H2,1-3H3/t10?,14-,15+,16+,19+,27+/m0/s1
InChIKey LGOPVBMUGSRUOT-NLGWJYKOSA-N
SMILES [H][C@]12Cc3c(Cl)c4cc(C(C)CC)n(N)c(=O)c4c(O)c3-c3c(O)c4C(=O)[C@@]5([H])[C@@H](O)C=C[C@@H](OC)[C@@]5([H])Oc4c(OCO1)c23
Metabolite of Species Details
Actinoplanes (NCBI:txid1871) of strain SCC 2314 See: PubMed
Actinoplanes (NCBI:txid1871) of strain ATCC 55600 See: PubMed
Roles Classification
Biological Role(s): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing sch 54445 (CHEBI:66180) has role antifungal agent (CHEBI:35718)
sch 54445 (CHEBI:66180) has role metabolite (CHEBI:25212)
sch 54445 (CHEBI:66180) is a cyclic acetal (CHEBI:59770)
sch 54445 (CHEBI:66180) is a ether (CHEBI:25698)
sch 54445 (CHEBI:66180) is a hydrazines (CHEBI:24631)
sch 54445 (CHEBI:66180) is a lactam (CHEBI:24995)
sch 54445 (CHEBI:66180) is a organic heteroheptacyclic compound (CHEBI:52157)
sch 54445 (CHEBI:66180) is a organochlorine compound (CHEBI:36683)
sch 54445 (CHEBI:66180) is a phenols (CHEBI:33853)
sch 54445 (CHEBI:66180) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1S,4R,4aS,8aR,17aS)-13-amino-12-(butan-2-yl)-10-chloro-1,15,16-trihydroxy-4-methoxy-4a,8a,13,17a-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17(4H,9H)-dione
Citation Waiting for Citations Type Source
9170295 PubMed citation Europe PMC
Last Modified
15 October 2012