Streptogramin A
PubChem CID: 5459319
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| Compound Synonyms | virginiamycin m1, Streptogramin A, Ostreogrycin a, Mikamycin A, Pristinamycin IIA, Virginiamycin Factor M1, VERNAMYCIN A, Staphylomycin M1, 21411-53-0, Antibiotic PA 114A1, CHEBI:9997, Antibiotic pa 114a, UNII-8W4UOL59AZ, NSC 244426, 8W4UOL59AZ, STREPTOGRAMIN A [MI], Virginiamycin M1 (~90%), PRISTINAMYCIN IIA [MI], VIRGINIAMYCIN M1 [MI], DTXSID30873800, PA-114A, EINECS 244-376-6, NSC 87432, NSC-87432, NSC-244426, RP-12536, Virginiamycin M1-d2 (>90%), NSC87434, (3R,4R,5E,10E,12E,14S)-14-hydroxy-3-isopropyl-4,12-dimethyl-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, (3R-(3R*,4R*,5E,10E,12E,14S*))-8,9,14,15,24,25-HEXAHYDRO-14-HYDROXY-4,12-DIMETHYL-3-(1-METHYLETHYL)-3H-21,18-NITRILO-1H,22H-PYRROLO(2,1-C)(1,8,4,19)DIOXADIAZACYCLOTETRACOSINE-1,7,16,22(4H,17H)-TETRONE, 3H-21,18-NITRILO-1H,22H-PYRROLO(2,1-C)(1,8,4,19)DIOXADIAZACYCLOTETRACOSINE-1,7,16,22(4H,17H)-TETRONE, 8,9,14,15,24,25-HEXAHYDRO-14-HYDROXY-4,12-DIMETHYL-3-(1-METHYLETHYL)-, (3R,4R,5E,10E,12E,14S)-, 8,9,14,15,24,25-Hexahydro-14-hydroxy-3-isopropyl-4,12-dimethyl-3H-21,18-nitrilo-1H,22H-pyrrolo(2,1-c)(1,8,4,19)dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, Virginiamycin M1 (200 ug/mL in Methanol) (~90%), NSC87432, NSC244426, Virginiamycin IIB, (3R,4R,5E,10E,12E,14S)-14-hydroxy-3-isopropyl-4,12-dimethyl-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo(2,1-c)(1,8,4,19)dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, MIKAMYCIN A [MI], SCHEMBL673193, CHEMBL1236670, GTPL12933, DTXCID401012018, (10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone, HY-N6686, MFCD00869411, NSC-87434, Vernamycin A & vernamycin B (1:1), DB01669, FV159221, CS-0019826, NS00011661, E80259, (3R,4R,5E,10E,12E,14S)-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 244-376-6, 8,9,14,15,24,25-Hexahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-3H-21,18-nitrilo-1H,22H-pyrrolo(2,1-c)(1,8,4,19)dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone |
|---|---|
| Topological Polar Surface Area | 139.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1030.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C28H35N3O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DAIKHDNSXMZDCU-FQTGFAPKSA-N |
| Fcsp3 | 0.4642857142857143 |
| Logs | -3.151 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.577 |
| Compound Name | Streptogramin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 525.248 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 525.248 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 525.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.881500821052634 |
| Inchi | InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1 |
| Smiles | C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carex Pendula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hydrangea Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Neonauclea Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients