(10R)-10-(dimethylamino)-3,4,5,14-tetramethoxytricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-13-one
AlkaPlorer ID: AK089640
Synonym: None
IUPAC Name: (7S)-7-(dimethylamino)-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Structure
SMILES: COC1=C(OC)C(OC)=C2C(=C1)CC[C@H](N(C)C)C1=CC(=O)C(OC)=CC=C12
InChI: InChI=1S/C22H27NO5/c1-23(2)16-9-7-13-11-19(26-4)21(27-5)22(28-6)20(13)14-8-10-18(25-3)17(24)12-15(14)16/h8,10-12,16H,7,9H2,1-6H3/t16-/m0/s1
InChIKey: NDKXARFZWSQXGE-INIZCTEOSA-N
Reference
Colchicinoids from<i>Colchicum crocifolium</i>Boiss. (Colchicaceae)
PubChem CID: 23759
CAS: 7336-44-9
LOTUS: LTS0109892
NPASS: NPC218575
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pinus palustris | Pinus | Pinaceae | Pinales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dalbergia melanoxylon | Dalbergia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 385.4600000000001
TPSA？: 57.23
MolLogP？: 3.297100000000002
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Tubulin | Tubulin binding | 38.0 | % | 10.1021/jm00135a005 |
| Mus musculus | Mus musculus | Log 1/LD50 | 4.21 | None | 10.1021/jm00137a031 |
| Mus musculus | Mus musculus | Toxicity | 51.9 | uM kg-1 | 10.1021/jm00135a005 |
| Mus musculus | Mus musculus | Toxicity | 519.5 | uM kg-1 | 10.1021/jm00135a005 |
| Mus musculus | P388 | Log 1/C | 4.03 | None | 10.1021/jm00135a004 |
| Mus musculus | P388 | Potency | 68.0 | uM kg-1 | 10.1021/jm00135a005 |
| None | No relevant target | LogP | 2.07 | None | 10.1021/jm00135a004 |
| None | No relevant target | LogP | 2.07 | None | 10.1021/jm00137a031 |