Navigation

name Structure Reference Source Properties Activities Metabolism

Trienomycin I

AlkaPlorer ID: AK116290

Synonym: None

IUPAC Name: [(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] acetate

Structure

SMILES: CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(C)=O)[C@H](C)[C@@H](O)/C(C)=C\CCC2=CC(=CC(O)=C2)N=C(O)C1

copy

InChI: InChI=1S/C28H37NO6/c1-19-11-10-12-22-15-23(17-24(31)16-22)29-27(32)18-25(34-4)13-8-6-5-7-9-14-26(35-21(3)30)20(2)28(19)33/h5-9,11,13,15-17,20,25-26,28,31,33H,10,12,14,18H2,1-4H3,(H,29,32)/b6-5+,9-7+,13-8+,19-11-/t20-,25-,26-,28-/m0/s1

copy

InChIKey: ZDMGJRKPKOPHRY-DLQUQATOSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Ochrobactrum sp. Ochrobactrum Brucellaceae Hyphomicrobiales Alphaproteobacteria Pseudomonadota None Bacteria

Properties Information

Molecule Weight: 483.60500000000025

TPSA？: 108.58

MolLogP？: 5.265200000000005

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 IC50 10000.0 nM 10.1016/j.ejmech.2022.114815
Homo sapiens K562 IC50 10000.0 nM 10.1016/j.ejmech.2022.114815
Homo sapiens MCF7 IC50 10000.0 nM 10.1016/j.ejmech.2022.114815

Metabolism Information