N-[(10S)-14-amino-3,4,5-trimethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl]acetamide
AlkaPlorer ID: AK427678
Synonym: None
IUPAC Name: N-(10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Structure
SMILES: COC1=CC2=C(C3=CC=C(N)C(=O)C=C3C(N=C(C)O)CC2)C(OC)=C1OC
InChI: InChI=1S/C21H24N2O5/c1-11(24)23-16-8-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-7-15(22)17(25)10-14(13)16/h6-7,9-10,16H,5,8H2,1-4H3,(H2,22,25)(H,23,24)
InChIKey: JWDFWIZNGSOUGC-UHFFFAOYSA-N
Reference
Alkaloids of Gloriosa superba L.
PubChem CID: 633425
LOTUS: LTS0036959
COCONUT: CNP0234828.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gloriosa superba | Gloriosa | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.4320000000002
TPSA？: 103.37000000000002
MolLogP？: 3.2855000000000016
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Tubulin | ITP | 33.0 | % | 10.1021/jm00115a026 |
| Bos taurus | Tubulin | ITP | 36.0 | % | 10.1021/jm00115a026 |
| Bos taurus | Tubulin | ITP | 66.0 | % | 10.1021/jm00115a026 |
| Bos taurus | Tubulin | ITP | 70.0 | % | 10.1021/jm00115a026 |
| Mus musculus | J774 | ED50 | 15.0 | uM | 10.1021/jm00115a026 |
| Mus musculus | J774 | ED50 | 70.0 | uM | 10.1021/jm00115a026 |
| Mus musculus | J774.2 | ED50 | 0.02 | uM | 10.1021/jm00115a026 |
| Mus musculus | P388 | ED50 | 0.013 | uM | 10.1021/jm00115a026 |
| Mus musculus | P388 | ED50 | 0.4 | uM | 10.1021/jm00115a026 |
| None | ADMET | tR | 4.0 | min | 10.1021/jm00115a026 |
| None | No relevant target | LogP | 0.3 | None | 10.1021/jm00115a026 |