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Antimycin A

PubChem CID: 14957

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Compound Synonyms Antimycin A, Antipiricullin, Antimycin A1b, Fintrol, Virosin, antimycin A1, 1397-94-0, Caswell No. 052B, Antimycin-A, CCRIS 924, HSDB 6417, EPA Pesticide Chemical Code 006314, 116095-18-2, 75G3NMU1TS, CHEBI:2762, CHEMBL211501, (2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate, [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate, CHEBI:22584, 8S75R39Y6J, [(2r,3s,6s,7r,8r)-3-[(3-Formamido-2-Oxidanyl-Phenyl)carbonylamino]-8-Hexyl-2,6-Dimethyl-4,9-Bis(Oxidanylidene)-1,5-Dioxonan-7-Yl] 3-Methylbutanoate, Butanoic acid, 3-methyl-, 3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, (2R-(2R*,3S*,6S*,7R*,8R*))-, SR-05000002233, UNII-75G3NMU1TS, Antipricullin, Verosin, UNII-8S75R39Y6J, (2R,3S,6S,7R,8R)-3-((3-formamido-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate, AWB, Caswell No 052B, ANTIMYCINS A, ANTIMYCIN A [MI], SCHEMBL218354, DTXSID3058668, DTXSID9032325, UIFFUZWRFRDZJC-SBOOETFBSA-N, AIDS032154, Butanoic acid, 2(or 3)-methyl-, 3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, BDBM50191588, AKOS015889205, BCP9000305, CCG-208457, FA61700, USEPA/OPP Pesticide Code: 006314, NCGC00017338-02, NCGC00017338-03, NCGC00017338-04, NCGC00017338-05, NCGC00017338-09, NCGC00142516-01, NCGC00142516-02, NCGC00142516-03, HY-107406, CS-0028420, SR-05000002233-2, SR-05000002233-3, [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxy-benzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate, [3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate, 2(or 3)-Methylbutanoic acid, (2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, 3-Methylbutanoic acid 3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, ANTIFUNGAL ANTIBIOTIC PRODUCED BY SEVERAL STREPTOMYCES SPP. CONTAINING MORE THAN 24 COMPONENTS (ANTIMYCINS A1 AND A3 ARE MOST ABUNDANT), BUTANOIC ACID, 3-METHYL-, (2R,3S,6S,7R,8R)-3-((3-(FORMYLAMINO)-2-HYDROXYBENZOYL)AMINO)-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL ESTER, isovaleric acid 8-ester with 3-formamido-N-(7-hexyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)salicylamide
Topological Polar Surface Area 157.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 39.0
Isotope Atom Count 0.0
Molecular Complexity 849.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id O42772, Q54A96, P28272, Q99714, B2RXH2, Q9NUW8, P10636, P00352, P28482, Q03164, P15428, P51450, P08684, P10275, P10828, Q96RI1, Q03181, P03372, P37231, P11473, P04150, Q16236, P04637, Q9R1A7, Q07869, Q9NPD5, Q9Y6L6, O95342, O15438, O15439
Iupac Name [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Prediction Hob 0.0
Target Id NPT149, NPT48, NPT50, NPT51, NPT94, NPT282, NPT151, NPT109, NPT72, NPT73, NPT713
Xlogp 5.3
Molecular Formula C28H40N2O9
Prediction Swissadme 0.0
Inchi Key UIFFUZWRFRDZJC-SBOOETFBSA-N
Fcsp3 0.6071428571428571
Logs -3.941
Rotatable Bond Count 12.0
Logd 2.932
Compound Name Antimycin A
Prediction Hob Swissadme 0.0
Exact Mass 548.273
Formal Charge 0.0
Monoisotopic Mass 548.273
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 548.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -6.582770753846155
Inchi InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1
Smiles CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aconitum Umbrosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Allium Ampeloprasum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Artemisia Iwayomogi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Bolboschoenus Maritimus (Plant) Rel Props:Source_db:npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Diospyros Chloroxylon (Plant) Rel Props:Source_db:npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Drimia Altissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Helenium Amarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Narcissus Pseudonarcissus (Plant) Rel Props:Source_db:npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Scutellaria Viscidula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Senecio Retrorsus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Taxus Wallichiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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