Discarine B
AlkaPlorer ID: AK051569
Synonym: ''
IUPAC Name: (2S,3R)-2-(dimethylamino)-N-[(3R,4S,7S,10E)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide
Structure
SMILES: CC[C@@H](C)[C@@H](C(O)=N[C@@H]1C(O)=N[C@@H](CC2=CNC3=CC=CC=C23)C(O)=N/C=C/C2=CC=C(C=C2)O[C@@H]1C(C)C)N(C)C
InChI: InChI=1S/C33H43N5O4/c1-7-21(4)29(38(5)6)33(41)37-28-30(20(2)3)42-24-14-12-22(13-15-24)16-17-34-31(39)27(36-32(28)40)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,39)(H,36,40)(H,37,41)/b17-16+/t21-,27+,28+,29+,30-/m1/s1
InChIKey: SCJZVYYNGPHJMK-LMVSBBLISA-N
Reference
Cyclopeptide Alkaloids. Phencyclopeptines From Ceanothus sanguineus
PubChem CID: 101921950
LOTUS: LTS0217817
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discaria americana | Discaria | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 573.738
TPSA？: 126.03
MolLogP？: 6.381300000000006
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|