CHEBI:69376 - Cephalostatin 1

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ChEBI Name Cephalostatin 1
ChEBI ID CHEBI:69376
Definition A natural product found in Cephalodiscus gilchristi.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C54H74N2O10
Net Charge 0
Average Mass 911.17280
Monoisotopic Mass 910.53435
InChI InChI=1S/C54H74N2O10/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-63-53(26)43(60)22-46(3,4)65-53)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,62)27(2)54(64-45)44(61)23-47(5,24-57)66-54/h14,19,26-32,34-35,41,43-45,57-58,60-62H,9-13,15-18,20-25H2,1-8H3/t26-,27-,28-,29-,30-,31+,32+,34-,35-,41+,43+,44+,45-,47-,48-,49-,50+,51+,52+,53+,54-/m0/s1
InChIKey HHBSFXFIMWLBAI-QEEYNDHBSA-N
SMILES [H][C@@]12CC[C@@]3([H])C4=C[C@]5([H])O[C@]6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)Cc1nc3C[C@]4([H])CC[C@@]5([H])C6=CC[C@]7([H])[C@H](C)[C@@]8(OC[C@]67C(=O)C[C@]5([H])[C@@]4(C)Cc3nc1C2)OC(C)(C)C[C@H]8O
Metabolite of Species Details
Cephalodiscus gilchristi (WORMS:266749) See: PubMed
Roles Classification
Biological Role(s): 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 Cephalostatin 1 (CHEBI:69376) has role metabolite (CHEBI:25212)
Cephalostatin 1 (CHEBI:69376) is a oxo steroid (CHEBI:35789)
Synonym Source
Dispiro(furan-2(3H),3'-(1H,3H)furo(3'',2'':3',4')cyclopenta(1',2':5,6)naphtho(1,2-b)pyrano(3'',4'':2',3')cyclopenta(1',2':5,6)naphtho(1,2-i)phenazine-15'(24'H),2''(3''H)-furan)-24'-one,4,4',4'',4'a,5,5',5'',6'b,7',8',8'a,9',11',11'a,11'b,12',13',13'a,13'b,14',16'a,17'b,18',19',19'a,20',22',22'a,22'b,23'-triacontahydro-3,3'',13',13'b-tetrahydroxy-5''-(hydroxymethyl)-4',5,5,5'',11'a,13'a,14',22'a-octamethyl-,(2R,2''S,3R,3''R,4'S,4'aR,5''S,6'bR,8'aS,11'aS,11'bS,13'R,13'aR,13'bS,14'S,16'aS,17'bR,19'aS,22'aS,22'bS,24'aR)- ChEBI
Registry Number Type Source
112088-56-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21899266 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:12-hydroxy steroid(CHEBI:36845); ISA:17-hydroxy steroid(CHEBI:36838); ISA:phenazines(CHEBI:39201); ISA:disaccharide(CHEBI:36233); ISA:cyclohexanones(CHEBI:23482); ISA:oxanes(CHEBI:46942); ISA:pyrazines(CHEBI:38314); ISA:oxolanes(CHEBI:26912); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:organonitrogen compound(CHEBI:35352);