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N-Benzoyl-O-acetylbuxalongifoline

AlkaPlorer ID: AK000801

Synonym: ''

IUPAC Name: [(6S,7S,8R,11R,12S,14R,15S,16R)-6-benzamido-7-formyl-7,12,16-trimethyl-15-[(1S)-1-(methylamino)ethyl]-14-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl] acetate

Structure

SMILES: CN[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N=C(O)C1=CC=CC=C1)[C@@]4(C)C=O

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InChI: InChI=1S/C34H46N2O4/c1-21(35-6)30-28(40-22(2)38)19-34(5)27-14-13-26-24(18-25(27)16-17-33(30,34)4)12-15-29(32(26,3)20-37)36-31(39)23-10-8-7-9-11-23/h7-11,16,18,20-21,26-30,35H,12-15,17,19H2,1-6H3,(H,36,39)/t21-,26+,27+,28+,29-,30-,32-,33+,34-/m0/s1

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InChIKey: SDNUQXYEIKHCSC-YCRBMUDLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 546.7520000000003

TPSA？: 87.99000000000001

MolLogP？: 6.213600000000007

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 8.0 nm 10.1021/np970207e
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 9.0 nm 10.1021/np970207e
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 50.0 ug 10.1021/np970207e
Salmonella enterica subsp. enterica serovar Typhi Salmonella typhi IZ 6.0 nm 10.1021/np970207e
Salmonella enterica subsp. enterica serovar Typhi Salmonella typhi IZ 8.0 nm 10.1021/np970207e
Salmonella enterica subsp. enterica serovar Typhi Salmonella typhi MIC 100.0 ug 10.1021/np970207e
Salmonella enterica subsp. enterica serovar Typhi Salmonella typhi MIC 200.0 ug 10.1021/np970207e
Shigella flexneri Shigella flexneri IZ 6.0 nm 10.1021/np970207e

Metabolism Information