Cephalostatin 1 (CHEBI:69376)

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CHEBI:69376 - Cephalostatin 1

ChEBI ID	CHEBI:69376
ChEBI Name	Cephalostatin 1
Stars
Definition	A natural product found in Cephalodiscus gilchristi.
Last Modified	22 September 2014
Downloads	Molfile

Formula	C54H74N2O10
Net Charge	0
Average Mass	911.190
Monoisotopic Mass	910.53435
SMILES	[H][C@@]12CC[C@@]3([H])C4=CC[C@]5([H])[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@]3([H])[C@@]1(C)Cc1nc3c(nc1C2)C[C@@]1(C)[C@@]([H])(CC[C@@]2([H])C4=C[C@]5([H])O[C@]7(O[C@](C)(CO)C[C@H]7O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@]12[H])C3)OC(C)(C)C[C@H]6O
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

Species of Metabolite	Component	Source	Comments
Cephalodiscus gilchristi (WORMS:266749)	-	PubMed (21899266)

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	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

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 Numbers	Sources
CAS:112088-56-9	ChemIDplus

Citations