Cordyheptapeptide A; 4''-Deoxy
AlkaPlorer ID: AK292991
Synonym: Cordyheptapeptide B
IUPAC Name: 3,12,15-tribenzyl-9-butan-2-yl-4,13,19-trimethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: CCC(C)C1N=C(O)C(CC2=CC=CC=C2)N(C)C(=O)C(CC2=CC=CC=C2)N=C(O)CN(C)C(=O)C2CCCN2C(=O)C(CC2=CC=CC=C2)N(C)C(=O)C(CC(C)C)N=C1O
InChI: InChI=1S/C49H65N7O7/c1-8-33(4)43-45(59)51-37(27-32(2)3)46(60)55(7)41(30-36-23-16-11-17-24-36)49(63)56-26-18-25-39(56)48(62)53(5)31-42(57)50-38(28-34-19-12-9-13-20-34)47(61)54(6)40(44(58)52-43)29-35-21-14-10-15-22-35/h9-17,19-24,32-33,37-41,43H,8,18,25-31H2,1-7H3,(H,50,57)(H,51,59)(H,52,58)
InChIKey: UVPLWQIDJSLMEL-UHFFFAOYSA-N
Reference
ES-242 Derivatives and Cycloheptapeptides from <i>Cordyceps</i> sp. Strains BCC 16173 and BCC 16176
PubChem CID: 74081400
LOTUS: LTS0158671
COCONUT: CNP0197239.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cordyceps sp. | Cordyceps | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 864.1009999999998
TPSA？: 179.01000000000002
MolLogP？: 5.899000000000007
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|