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Taxiphyllin

AlkaPlorer ID: AK018084

Synonym: None

IUPAC Name: (2R)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile

Structure

SMILES: N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(O)C=C1

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InChI: InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1

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InChIKey: NVLTYOJHPBMILU-GMDXDWKASA-N

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Reference

None

PubChem CID: 107721

CAS: 21401-21-8

LOTUS: LTS0209760

SuperNatural Ⅲ: SN0256366-05

NPASS: NPC212176

Properties Information

Molecule Weight: 311.29

TPSA？: 143.4

MolLogP？: -1.22662

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Artemia salina Artemia salina ED50 0.96 uM 10.1021/np060222w
Escherichia coli Escherichia coli MBC 700.0 ug ml-1 10.1021/np060222w
Escherichia coli Escherichia coli MIC 600.0 ug.mL-1 10.1021/np060222w
Micrococcus luteus Micrococcus luteus MBC 500.0 ug ml-1 10.1021/np060222w
Micrococcus luteus Micrococcus luteus MIC 200.0 ug.mL-1 10.1021/np060222w
Pseudomonas aeruginosa Pseudomonas aeruginosa MBC nan None 10.1021/np060222w
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 700.0 ug.mL-1 10.1021/np060222w
Staphylococcus aureus Staphylococcus aureus MBC 700.0 ug ml-1 10.1021/np060222w
Staphylococcus aureus Staphylococcus aureus MIC 400.0 ug.mL-1 10.1021/np060222w
Staphylococcus epidermidis Staphylococcus epidermidis MBC 700.0 ug ml-1 10.1021/np060222w
Staphylococcus epidermidis Staphylococcus epidermidis MIC 500.0 ug.mL-1 10.1021/np060222w

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001242 C#N.O=Cc1ccc(O)cc1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1 MNXR182449
AKRT015576 N#CC(O)c1ccc(O)cc1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1 enzymemap_35274
AKRT015726 N#C[C@H](O)c1ccc(O)cc1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1 2.4.1.178-RXN
AKRT015741 N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 MNXR173308
AKRT015742 N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1>>C#N RXN-13600
AKRT015743 N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1>>N#CC(O)c1ccc(O)cc1 enzymemap_58922
AKRT015744 N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1>>N#C[C@@H](O)c1ccc(O)cc1 MNXR173308
AKRT015745 N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1>>O=Cc1ccc(O)cc1 RXN-13600
AKRT015746 N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O RXN-13600