BIAdb Colchicine analog 1887
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1887 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1887 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Colchicine analog 1887
| |
| Systematic (IUPAC) name | |
| (E)-3-(3,4-dihydroxyphenyl)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]prop-2-enamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C29H29NO8 |
| Mol. mass | 519.54246 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
519.54246
*Exact Mass
519.189317
*Molecular Formula
C29H29NO8
*IUPAC NAME
(E)-3-(3,4-dihydroxyphenyl)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]prop-2-enamide
*Canonical Smiles
COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C=CC4=CC(=C(C=C4)O)O
*Isomeric Smiles
COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)/C=C/C4=CC(=C(C=C4)O)O
*XLogP
2.4
*Hydrogen bond donor
3
*Hydrogen bond acceptor
8
*Rotational Bond Count
7
*Topological Polar Surface Area
124
