Outovirin A
AlkaPlorer ID: AK103883
Synonym: None
IUPAC Name: (1R,3S,4R,7R,8S,12S,16R)-3,4,7-trihydroxy-16-(2-hydroxy-3,4-dimethoxyphenyl)-13-methyl-9-oxa-15-thia-10,13-diazatetracyclo[10.2.2.01,10.03,8]hexadec-5-ene-11,14-dione
Structure
SMILES: COC1=CC=C([C@H]2S[C@@]34C[C@]5(O)[C@H](O)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@@H]2N(C)C4=O)C(O)=C1OC
InChI: InChI=1S/C21H24N2O9S/c1-22-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-21(19(22)28)8-20(29)12(25)7-5-10(24)17(20)32-23(21)18(13)27/h4-7,10,12-13,16-17,24-26,29H,8H2,1-3H3/t10-,12-,13-,16-,17+,20+,21-/m1/s1
InChIKey: LGGBWKYVFUKVSL-BFBGDVCSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhododendron tomentosum | Rhododendron | Ericaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 480.4950000000002
TPSA？: 149.23
MolLogP？: -0.7106000000000003
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|