Discarine L
AlkaPlorer ID: AK137507
Synonym: '', 'Discarine H'
IUPAC Name: (2S,3R)-N-[(3R,4R,7S,11S)-7-[(2S)-butan-2-yl]-11-hydroxy-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-2-(dimethylamino)-3-methylpentanamide
Structure
SMILES: CC[C@@H](C)[C@@H](C(O)=N[C@H]1C(O)=N[C@@H]([C@@H](C)CC)C(O)=NC[C@@H](O)C2=CC=C(C=C2)O[C@@H]1C(C)C)N(C)C
InChI: InChI=1S/C28H46N4O5/c1-9-17(5)22-26(34)29-15-21(33)19-11-13-20(14-12-19)37-25(16(3)4)23(27(35)30-22)31-28(36)24(32(7)8)18(6)10-2/h11-14,16-18,21-25,33H,9-10,15H2,1-8H3,(H,29,34)(H,30,35)(H,31,36)/t17-,18+,21+,22-,23+,24-,25+/m0/s1
InChIKey: CTPJRCCVGDXRDO-ARCBKAQMSA-N
Reference
Cyclopeptide alkaloids of Discaria febrifuga (Rhamnaceae)
PubChem CID: 163103740
LOTUS: LTS0139531
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discaria americana | Discaria | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 518.6990000000002
TPSA？: 130.47000000000003
MolLogP？: 4.766100000000004
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|