Integerrimide A
AlkaPlorer ID: AK460947
Synonym: None
IUPAC Name: (3S,6S,9S,12S,18S,21S)-3-[(1S)-1-hydroxyethyl]-18-(1H-indol-3-ylmethyl)-6,9,12-tris(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: CC(C)C[C@@H]1N=C(O)CN=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C1O
InChI: InChI=1S/C40H60N8O8/c1-21(2)15-28-36(52)44-29(16-22(3)4)37(53)45-30(17-23(5)6)38(54)47-34(24(7)49)40(56)48-14-10-13-32(48)39(55)46-31(35(51)42-20-33(50)43-28)18-25-19-41-27-12-9-8-11-26(25)27/h8-9,11-12,19,21-24,28-32,34,41,49H,10,13-18,20H2,1-7H3,(H,42,51)(H,43,50)(H,44,52)(H,45,53)(H,46,55)(H,47,54)/t24-,28-,29-,30-,31-,32-,34-/m0/s1
InChIKey: MUYJIBHYNYIVBX-BKKYOMMVSA-N
Reference
Integerrimides A and B, Cyclic Heptapeptides from the Latex of <i>Jatropha integerrima</i>
PubChem CID: 163194220
LOTUS: LTS0239134
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jatropha integerrima | Jatropha | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 780.968
TPSA？: 251.86999999999992
MolLogP？: 5.816100000000006
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|