Scutianine K
AlkaPlorer ID: AK008686
Synonym: ''
IUPAC Name: (2S)-2-(dimethylamino)-N-[(3R,4R,7R,10E)-7-[(S)-hydroxy(phenyl)methyl]-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-phenylpropanamide
Structure
SMILES: CC(C)[C@H]1OC2=CC=C(/C=C/N=C(O)[C@@H]([C@@H](O)C3=CC=CC=C3)N=C(O)[C@@H]1N=C(O)[C@H](CC1=CC=CC=C1)N(C)C)C=C2
InChI: InChI=1S/C34H40N4O5/c1-22(2)31-29(37-32(40)27(38(3)4)21-24-11-7-5-8-12-24)34(42)36-28(30(39)25-13-9-6-10-14-25)33(41)35-20-19-23-15-17-26(43-31)18-16-23/h5-20,22,27-31,39H,21H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/b20-19+/t27-,28+,29+,30-,31+/m0/s1
InChIKey: YCOHIMQJGPGODE-KTHPELLQSA-N
Reference
Scutianine-J, a cyclopeptidic alkaloid isolated from scutia buxifolia
PubChem CID: 102239802
LOTUS: LTS0020848
NPASS: NPC48063
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scutia buxifolia | Scutia | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 584.7170000000001
TPSA？: 130.47
MolLogP？: 5.587500000000005
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|