Tetracycline
PubChem CID: 54675776
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| Compound Synonyms | tetracycline, 60-54-8, Deschlorobiomycin, Tsiklomitsin, Abramycin, Tetracyclinum, Tsiklomistsin, Tetraciclina, Achromycin, Tetracyclin, Solvocin, Sumycin, Ambramycin, Tetrazyklin, Cyclopar, Liquamycin, Omegamycin, Panmycin, Tetracyn, Tetradecin, Tetrafil, Tetraverine, Vetacyclinum, Tetra-Co, Achromycin V, Abricycline, Agromicina, Ambramicina, Biocycline, Cefracycline, Criseociclina, Democracin, Hostacyclin, Lexacycline, Limecycline, Mericycline, Neocycline, Orlycycline, Purocyclina, Roviciclina, Ciclibion, Copharlan, Micycline, Tetrabon, Veracin, Amycin, Tetracycline base, SK-Tetracycline, Tetracycline II, Cyclomycin, Tetracycl, Tetracycline HCl, Tetracycline I, Bio-tetra, Brodspec, CHEBI:27902, Piracaps (base), Centet (base), Achromycin (naphthacene derivative), Ala-Tet, Tetracyclinehydrate, Tetracyclinum [INN-Latin], Tetraciclina [INN-Spanish], UNII-F8VB5M810T, NSC-108579, Cefracycline suspension, CCRIS 9483, F8VB5M810T, (4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide, DTXSID7023645, HSDB 3188, EINECS 200-481-9, MFCD00151232, (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-, Vetquamycin-324 (free base), Liquamycin (Veterinary), DTXCID703645, (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, EC 200-481-9, Tetracycline (internal use), Tetracycline [USP:INN:BAN:JAN], PYLERA COMPONENT TETRACYCLINE, Supramycin, NSC108579, 60-54-8 (FREE BASE), 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-, E701, T-125, 6-Methyl-1,11-dioxy-2-naphthacenecarboxamide, Tetracyclinum (INN-Latin), Tetraciclina (INN-Spanish), TETRACYCLINE (MART.), TETRACYCLINE [MART.], 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,1 0,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide, TETRACYCLINE (EP MONOGRAPH), TETRACYCLINE (USP IMPURITY), Tetracycline (USP:INN:BAN:JAN), TETRACYCLINE [EP MONOGRAPH], TETRACYCLINE [USP IMPURITY], TETRACYCLINE (USP MONOGRAPH), TETRACYCLINE [USP MONOGRAPH], Deschlorobiomycin, Ambramycin, Liquamycin, Bristaciclin alpha, (4R,4AS,5AS,6S,12AS)-4-(DIMETHYLAMINO)-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, Sumycin (TN), LYMECYCLINE IMPURITY H (EP IMPURITY), LYMECYCLINE IMPURITY H [EP IMPURITY], 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, 6416-04-2 (3H2O), Tetracycline & VRC3375, Economycin, Vetquamycin, Tetracycline (JAN/USP/INN), SR-01000000212, Tetrabid Organon, (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, VETRACYCLINUM, Spectrum_001034, Tetracycline, EP grade, Tetracycline (Standard), Prestwick0_000140, Prestwick1_000140, Prestwick2_000140, Prestwick3_000140, Spectrum2_001329, Spectrum3_000565, Spectrum4_000352, Spectrum5_001112, TETRACYCLINE [MI], TETRACYCLINE [INN], TETRACYCLINE [JAN], TETRACYCLINE [HSDB], SCHEMBL3098, TETRACYCLINE [VANDF], BSPBio_000220, BSPBio_001950, KBioGR_000783, KBioSS_001514, BIDD:GT0653, DivK1c_000827, SCHEMBL537050, TETRACYCLINE [WHO-DD], Tetracycline Intramuscular Vet, SPBio_001457, SPBio_002159, BPBio1_000242, SCHEMBL2116649, SCHEMBL2116661, SCHEMBL21271987, GTPL10927, HY-A0107R, KBio1_000827, KBio2_001514, KBio2_004082, KBio2_006650, KBio3_001450, Tetracycline - Bio-X trade mark, A01AB13, D06AA04, J01AA07, S01AA09, S02AA08, S03AA02, TETRACYCLINE [GREEN BOOK], NINDS_000827, HMS2090B04, TETRACYCLINE [ORANGE BOOK], Tetracycline, >=98.0% (NT), 2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-, (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,6.BETA.,12A.ALPHA.))-, 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide, HY-A0107, RKL10088, Tetracycline, >=88.0% (HPLC), Tox21_300150, BDBM50237605, s4490, AKOS024277860, AKOS026749977, CS-8188, DB00759, TETRACYCLINE COMPONENT OF PYLERA, Tetracycline dried down 2.5 microg/mL, CAS-60-54-8, IDI1_000827, NCGC00017323-03, NCGC00017323-04, NCGC00017323-05, NCGC00017323-07, NCGC00017323-15, NCGC00017323-16, NCGC00142507-02, NCGC00254063-01, BT166207, DA-68063, SBI-0051530.P003, NS00000577, T3971, C06570, D00201, EN300-374118, AB00053550-04, AB00053550_05, AB00053550_06, Q193045, SR-01000000212-3, Z2144222809, OXYTETRACYCLINE HYDROCHLORIDE IMPURITY B [EP IMPURITY], (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-1,6,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, 200-481-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 182.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC2C(C1)CC1CC3CCCCC3CC1C2C |
| Np Classifier Class | Tetracyclines |
| Deep Smiles | CN[C@@H]C=O)C=C[C@@][C@H]6C[C@H]C=CO)cc[C@@]6C)O))cccc6O))))))))C6=O))))))O))O))C=O)N)))))C |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Tetracyclines |
| Scaffold Graph Node Level | OC1CCC2C(C1)CC1CC3CCCCC3CC1C2O |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 971.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT568, NPT567, NPT569, NPT1090, NPT2755, NPT2570, NPT920 |
| Xlogp | -2.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H24N2O8 |
| Scaffold Graph Node Bond Level | O=C1C=CC2C(=O)C3=Cc4ccccc4CC3CC2C1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NWXMGUDVXFXRIG-WESIUVDSSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4090909090909091 |
| Logs | -1.692 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.156 |
| Synonyms | tetracycline |
| Esol Class | Soluble |
| Functional Groups | CC(=O)C(C(N)=O)=C(C)O, CN(C)C, CO, cC(O)=C(C)C(C)=O, cO |
| Compound Name | Tetracycline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 444.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 444.153 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 444.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.9029780000000005 |
| Inchi | InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 |
| Smiles | C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Xanthochymus (Plant) Rel Props:Reference:ISBN:9788172360481 - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients