BIAdb Trimethylcolchicinic acid methyl ether 3450
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3450 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3450 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Trimethylcolchicinic acid methyl ether 3450
| |
| Systematic (IUPAC) name | |
| (7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[g]heptalen-9-one; 2,3-dihydroxybutanedioic acid | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C24H29NO11 |
| Mol. mass | 507.48716 |
| 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
507.48716
*Exact Mass
507.174061
*Molecular Formula
C24H29NO11
*IUPAC NAME
(7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[g]heptalen-9-one; 2,3-dihydroxybutanedioic acid
*Canonical Smiles
COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N.C(C(C(=O)O)O)(C(=O)O)O
*Isomeric Smiles
COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)N.C(C(C(=O)O)O)(C(=O)O)O
*XLogP
N/A
*Hydrogen bond donor
5
*Hydrogen bond acceptor
12
*Rotational Bond Count
7
*Topological Polar Surface Area
195
