Scutianine C
AlkaPlorer ID: AK018437
Synonym: None
IUPAC Name: (2S,3S)-N-[(3R,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-propan-2-yl-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](C(O)=N[C@@H]1C(O)=N[C@@H](CC2=CC=CC=C2)C(O)=N/C=C\C2=CC=C(C=C2)O[C@@H]1C(C)C)N(C)C
InChI: InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(20(2)3)39-24-15-13-22(14-16-24)17-18-32-29(36)25(33-30(26)37)19-23-11-9-8-10-12-23/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25-,26-,27-,28+/m0/s1
InChIKey: PFSHVBJLBKINQV-HEPVXVMXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scutia buxifolia | Scutia | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 534.7010000000001
TPSA？: 110.24
MolLogP？: 5.900000000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Activity | -0.4 | degrees C | 10.1021/np800377y |
| Mus musculus | Mus musculus | Activity | -0.23 | degrees C | 10.1021/np800377y |
| Mus musculus | Mus musculus | Activity | 17.6 | None | 10.1021/np800377y |
| Mus musculus | Mus musculus | Activity | 74.0 | None | 10.1021/np800377y |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/np800377y |