Integerrimide B
AlkaPlorer ID: AK198758
Synonym: '(-)-Integerrimide B'
IUPAC Name: (3S,6S,9S,12S,18S,21S)-3-(hydroxymethyl)-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](CO)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C1O
InChI: InChI=1S/C39H58N8O8/c1-21(2)14-27-35(51)43-28(15-22(3)4)36(52)44-29(16-23(5)6)37(53)46-31(20-48)39(55)47-13-9-12-32(47)38(54)45-30(34(50)41-19-33(49)42-27)17-24-18-40-26-11-8-7-10-25(24)26/h7-8,10-11,18,21-23,27-32,40,48H,9,12-17,19-20H2,1-6H3,(H,41,50)(H,42,49)(H,43,51)(H,44,52)(H,45,54)(H,46,53)/t27-,28-,29-,30-,31-,32-/m0/s1
InChIKey: CPSZQDSIZKCEOY-JNRWAQIZSA-N
Reference
Integerrimides A and B, Cyclic Heptapeptides from the Latex of <i>Jatropha integerrima</i>
PubChem CID: 163103713
LOTUS: LTS0238411
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jatropha integerrima | Jatropha | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 766.941
TPSA？: 251.86999999999992
MolLogP？: 5.427600000000005
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|