luminamicin   Click here for help

GtoPdb Ligand ID: 11053

Synonyms: coloradocin | LS-90907
Comment: Luminamicin is an antibiotic that was isolated from actinomycete strain OMR-59 [2]. It exhibits antibacterial activity against anaerobic bacteria, especially against Clostridium sp. [2] [3]. The chemical stuctures of luminamicin and coloradocin (from an Actinoplanes organism) are identical [3].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 164.12
Molecular weight 614.24
XLogP -0.01
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COC1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H](C3)[C@@H]([C@H]4O)C)/C(=C/C2[C@H](OC1=O)C(O)CO/C=C/C1=C(CCC(=O)OC2)C(=O)OC1=O)/C
Isomeric SMILES COC1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H](C3)[C@@H]([C@H]4O)C)/C(=C/C2[C@H](OC1=O)C(O)CO/C=C/C1=C(CCC(=O)OC2)C(=O)OC1=O)/C
InChI InChI=1S/C32H38O12/c1-15-10-18-13-41-25(34)7-6-20-21(30(37)43-29(20)36)8-9-40-14-22(33)28(18)42-31(38)24(39-3)12-19-5-4-17-11-23-16(2)27(35)26(17)32(15,19)44-23/h4-5,8-10,16-19,22-24,26-28,33,35H,6-7,11-14H2,1-3H3/b9-8+,15-10+/t16-,17-,18?,19+,22?,23+,24?,26-,27+,28-,32-/m0/s1
InChI Key UGSGHHXIPUAOBJ-FUQUDWCDSA-N
Classification Click here for help
Compound class Natural product or derivative
Synonyms Click here for help
coloradocin | LS-90907
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 264
Other databases
CAS Registry No. 99820-21-0 (source: ChemIDplus)
GtoPdb PubChem SID 405560494
PubChem CID 6438852
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UniChem Connectivity Search for chemical match using the InChIKey UGSGHHXIPUAOBJ-FUQUDWCDSA-N