Discarine C
AlkaPlorer ID: AK074786
Synonym: ''
IUPAC Name: (2S,3R)-N-[(3R,4S,7S,10E)-7-[(2R)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-methylpentanamide
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@@H](N=C(O)[C@H]([C@H](C)CC)N(C)C)[C@@H](C2=CC=CC=C2)OC2=CC=C(/C=C/N=C1O)C=C2
InChI: InChI=1S/C31H42N4O4/c1-7-20(3)25-29(36)32-19-18-22-14-16-24(17-15-22)39-28(23-12-10-9-11-13-23)26(30(37)33-25)34-31(38)27(35(5)6)21(4)8-2/h9-21,25-28H,7-8H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b19-18+/t20-,21-,25+,26+,27+,28-/m1/s1
InChIKey: KUFZVSVLYCOHNF-IHHSMVKRSA-N
Reference
Cyclopeptides from the Bark of <i>Discaria </i><i>a</i><i>mericana</i>
PubChem CID: 162915936
LOTUS: LTS0122667
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discaria americana | Discaria | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 534.7010000000002
TPSA？: 110.24
MolLogP？: 6.420100000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|