BIAdb Actinodaphine 1081
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1081 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1081 Link to BIAdb Database] | ||
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Current revision
| BIAdb Actinodaphine 1081
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C18H17NO4 |
| Mol. mass | 311.33188 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Hernandia cordigera
[edit] Function
Antimicrobial
[edit] General Properties
*Molecular Weight
311.33188
*Exact Mass
311.115758
*Molecular Formula
C18H17NO4
*IUPAC NAME
N/A
*Canonical Smiles
COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
*Isomeric Smiles
COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
*XLogP
2.4
*Hydrogen bond donor
2
*Hydrogen bond acceptor
5
*Rotational Bond Count
1
*Topological Polar Surface Area
60
