Compound Summary
Compound Information
Calcimycin
Compound Name: | Calcimycin |
Compound CID: | 11957499 |
Synonyms: | Calcimycin 52665-69-7 Calcium ionophore III Calcimycin A23187 antibiotic A-23187 More... |
Iupac Name: | 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid |
InChI: | InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1 |
InChIKey: | HIYAVKIYRIFSCZ-CYEMHPAKSA-N |
Canonical Smiles: | CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC |
Isomeric Smiles: | C[C@@H]1CC[C@]2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC |
Molecular Weight: | 523.6 |
Molecular Formula: | C29H37N3O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Calcimycin
Molecular Weight: | 523.6 |
Molecular Formula: | C29H37N3O6 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 38 |
Complexity: | 873 |
Synonyms
Calcimycin
| Calcimycin | Calcimycin |
|---|---|
Calcimycin |
52665-69-7 |
Calcium ionophore III |
Calcimycin A23187 |
antibiotic A-23187 |
UNII-37H9VM9WZL |
A23187 |
Calcium ionophore A23187 |
37H9VM9WZL |
MLS001056783 |
A-23187 |
SMR000326983 |
A23187, free acid |
5-(methylamino)-2-(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl-1,7-dioxaspiro5.5undecan-8-ylmethyl-1,3-benzoxazole-4-carboxylic acid |
Calimycin |
A 23187 |
SR-01000075434 |
Antibiotic A 23187 |
rel-Calcimycin |
MFCD00151202 |
EINECS 258-084-1 |
Lopac0_000317 |
4-Benzoxazolecarboxylic acid, 5-(methylamino)-2-((3,9,11-trimethyl-8-(1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-, (6S-(6alpha(2S*,3S*),8beta(R*),9beta,11alpha))- |
CHEMBL1256686 |
DTXSID1040405 |
SCHEMBL17390959 |
BDBM44170 |
CHEBI:107643 |
cid_11957499 |
HMS2231L17 |
HMS3260P16 |
HMS3267F15 |
5-(methylamino)-2-(((2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-((S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl)-1,7-dioxaspiro5.5undecan-2-yl)methyl)benzodoxazole-4-carboxylic acid |
Antibiotic A-23187A-23187 |
HY-N6687 |
ZINC3995369 |
Tox21_500317 |
AKOS024456478 |
CCG-204412 |
LP00317 |
SDCCGSBI-0050305.P002 |
A23187; Calcium ionophore A23187 |
NCGC00025064-02 |
NCGC00025064-03 |
NCGC00025064-04 |
NCGC00025064-09 |
NCGC00261002-01 |
CS-0006888 |
EU-0100317 |
C 7522 |
SR-01000597415 |
Calcium Ionophore A23187, >=98% (TLC), powder |
Q3650244 |
SR-01000075434-1 |
SR-01000075434-5 |
SR-01000597415-1 |
BRD-K41431477-001-05-6 |
Calcium ionophore III, Selectophore(TM), function tested |
2-(2S,3R,5R,6S,8R,9R)-2-(1S)-2-keto-1-methyl-2-(1H-pyrrol-2-yl)ethyl-3,5,9-trimethyl-1,7-dioxaspiro5.5undecan-8-ylmethyl-5-(methylamino)-1,3-benzoxazole-4-carboxylic acid |
4-Benzoxazolecarboxylicacid,5-(methylamino)-2-(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-(1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl-1,7-dioxaspiro5.5undec-2-ylmethyl- |
5-(methylamino)-2-(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-(2S)-1-oxidanylidene-1-(1H-pyrrol-2-yl)propan-2-yl-1,7-dioxaspiro5.5undecan-8-ylmethyl-1,3-benzoxazole-4-carboxylic acid |
5-(Methylamino)-2-2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-(1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)-ethyl-1,7-dioxaspiro5.5undec-2-ylmethyl-4-benzoxazolecarboxylic acid |
79646-37-0 |
Experimental Data
Calcimycin
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 7 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Calcimycin
Statistics Data
Calcimycin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 7 | 1 | 1 |
Statistics Data Visualization
Calcimycin
