BIAdb 4-(hydroxymethyl)colchicine 1052
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1052 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1052 Link to BIAdb Database] | ||
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Current revision
| BIAdb 4-(hydroxymethyl)colchicine 1052
| |
| Systematic (IUPAC) name | |
| N-[(7S)-4-(hydroxymethyl)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C23H27NO7 |
| Mol. mass | 429.46298 |
| 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
429.46298
*Exact Mass
429.178752
*Molecular Formula
C23H27NO7
*IUPAC NAME
N-[(7S)-4-(hydroxymethyl)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
*Canonical Smiles
CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)OC)C(=C(C(=C2CO)OC)OC)OC
*Isomeric Smiles
CC(=O)N[C@H]1CCC2=C(C3=CC=C(C(=O)C=C13)OC)C(=C(C(=C2CO)OC)OC)OC
*XLogP
0.1
*Hydrogen bond donor
2
*Hydrogen bond acceptor
7
*Rotational Bond Count
6
*Topological Polar Surface Area
103
