2-hydroxy-N-[(10S)-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]acetamide
AlkaPlorer ID: AK209865
Synonym: None
IUPAC Name: 2-hydroxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Structure
SMILES: COC1=C(OC)C(OC)=C2C(=C1)CC[C@H](N=C(O)CO)C1=CC(=O)C(OC)=CC=C12
InChI: InChI=1S/C22H25NO7/c1-27-17-8-6-13-14(10-16(17)25)15(23-19(26)11-24)7-5-12-9-18(28-2)21(29-3)22(30-4)20(12)13/h6,8-10,15,24H,5,7,11H2,1-4H3,(H,23,26)/t15-/m0/s1
InChIKey: DIELAJDYLJKYSH-HNNXBMFYSA-N
Reference
Alkaloids and phenolics of Colchicum turcicum
PubChem CID: 14781534
LOTUS: LTS0189803
SuperNatural Ⅲ: SN0066383-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Colchicum turcicum | Colchicum | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 415.4420000000002
TPSA？: 106.81000000000002
MolLogP？: 2.6843000000000004
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Tubulin | Binding | 97.0 | % | 10.1021/jm00364a006 |
| Mus musculus | Mus musculus | Toxicity | 3.0 | uM kg-1 | 10.1021/jm00364a006 |
| Mus musculus | Mus musculus | Toxicity | 3.9 | uM kg-1 | 10.1021/jm00364a006 |
| Mus musculus | P388 | Potency | 0.7 | uM kg-1 | 10.1021/jm00364a006 |