Celogentin E
AlkaPlorer ID: AK034294
Synonym: ''
IUPAC Name: (2R)-2-[[(8S,9R,12R,15R,18S,21S,27R)-12-[(2S)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-8,15-di(propan-2-yl)-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carbonyl]amino]butanedioic acid
Structure
SMILES: CC[C@H](C)[C@H]1N=C(O)[C@H](N=C(O)[C@H]2CCC(O)=N2)[C@@H](C(C)C)C2=CC=C3C4=C(NC3=C2)N2C=NC(=C2)C[C@H](C(O)=N[C@H](CC(=O)O)C(=O)O)N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](C4)N=C(O)[C@@H](C(C)C)N=C1O
InChI: InChI=1S/C51H71N15O13/c1-7-24(6)40-48(76)63-39(23(4)5)47(75)61-33-17-28-27-11-10-25(38(22(2)3)41(49(77)64-40)65-44(72)30-12-13-35(67)57-30)15-31(27)59-42(28)66-20-26(56-21-66)16-32(45(73)62-34(50(78)79)18-37(69)70)58-36(68)19-55-43(71)29(60-46(33)74)9-8-14-54-51(52)53/h10-11,15,20-24,29-30,32-34,38-41,59H,7-9,12-14,16-19H2,1-6H3,(H,55,71)(H,57,67)(H,58,68)(H,60,74)(H,61,75)(H,62,73)(H,63,76)(H,64,77)(H,65,72)(H,69,70)(H,78,79)(H4,52,53,54)/t24-,29-,30+,32+,33-,34+,38-,39+,40+,41+/m0/s1
InChIKey: KFGFIFOXJSPNCK-UIAGNESMSA-N
Reference
New antimitotic bicyclic peptides, celogentins D–H, and J, from the seeds of Celosia argentea
PubChem CID: 163091759
LOTUS: LTS0260354
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celosia argentea | Celosia | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1102.2209999999995
TPSA？: 463.4200000000001
MolLogP？: 5.081170000000011
Number of H-Donors: 15
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|