Compound Summary
Compound Information
doxycycline
Compound Name: | doxycycline |
Compound CID: | 54671203 |
Synonyms: | doxycycline 564-25-0 Vibramycin Doxytetracycline Doxiciclina More... |
Iupac Name: | (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide |
InChI: | InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1 |
InChIKey: | SGKRLCUYIXIAHR-AKNGSSGZSA-N |
Canonical Smiles: | CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O |
Isomeric Smiles: | C[C@@H]1[C@H]2[C@@H]([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 |
Molecular Weight: | 444.4 |
Molecular Formula: | C22H24N2O8 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
doxycycline
Molecular Weight: | 444.4 |
Molecular Formula: | C22H24N2O8 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 32 |
Complexity: | 956 |
Synonyms
doxycycline
| doxycycline | doxycycline |
|---|---|
doxycycline |
564-25-0 |
Vibramycin |
Doxytetracycline |
Doxiciclina |
Doxycyclinum |
Doxycycline (anhydrous) |
Monodox |
Oracea |
Vibra-tabs |
Doxycycline hyclate |
6alpha-Deoxy-5-oxytetracycline |
5-Hydroxy-alpha-6-deoxytetracycline |
6-alpha-Deoxy-5-oxytetracycline |
Doxycyclin |
alpha-6-Deoxy-5-hydroxytetracycline |
BMY-28689 |
Doxycycline anhydrous |
Liviatin |
DOXY |
Doxy-Caps |
Vibravenos |
UNII-334895S862 |
Deoxymykoin |
Dossiciclina |
Azudoxat |
Doxitard |
Doxivetin |
Doxycen |
Doxychel |
Investin |
Ronaxan |
CHEBI:50845 |
Spanor |
Doxy-Puren |
alpha-Doxycycline |
Doxy-Tabs |
alpha-6-Deoxyoxytetracycline |
MMV000011 |
Supracyclin |
Doxysol |
Jenacyclin |
6-Deoxyoxytetracycline |
Dossiciclina DCIT |
Doxiciclina Italian |
(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
GS-3065 |
(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide |
2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6R,12aS)- |
Doxycyclinum INN-Latin |
Doxycycline (internal use) |
Doxiciclina INN-Spanish |
334895S862 |
BU-3839T |
4-Epidoxycycline |
Zenavod |
DOXCYCLINE ANHYDROUS |
Oxytetracycline, 6-deoxy- |
Doxycycline (TN) |
Doxychel (TN) |
Vivox (*Hyclate) |
Doxycycline (INN) |
DMSC (*Fosfatex) |
NSC633557 |
HSDB 3071 |
Monodox (*monohydrate) |
BMY28689 |
BU 3839T |
24390-14-5 |
EINECS 209-271-1 |
BMY 28689 |
Vibramycin (*monohydrate) |
GS-3065 (*monohydrate) |
Doxirobe |
Doxycycline USAN:INN:BAN |
SR-01000075844 |
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6R,12aS)- |
Anhydrous doxycycline |
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))- |
AB08 (*Fosfatex) |
Spectrum_000807 |
Spectrum2_000143 |
Spectrum3_000408 |
Spectrum4_000527 |
Spectrum5_000947 |
UPCMLD-DP021 |
CHEMBL1433 |
Lopac0_000405 |
SCHEMBL40930 |
SCHEMBL66828 |
BSPBio_001936 |
KBioGR_001133 |
KBioSS_001287 |
BIDD:GT0146 |
DivK1c_000345 |
SPBio_000246 |
CHEMBL436921 |
GTPL6464 |
SCHEMBL1176275 |
4-Epioxytetracycline, 6-deoxy- |
DTXSID0037653 |
SCHEMBL17826665 |
SCHEMBL19270298 |
SCHEMBL21753474 |
UPCMLD-DP021:001 |
BCBcMAP01_000024 |
KBio1_000345 |
KBio2_001287 |
KBio2_003855 |
KBio2_006423 |
KBio3_001156 |
DTXSID80992212 |
NINDS_000345 |
HMS2090E06 |
DOXYTETRACYCLINE; DOXYCYCLINE |
HY-N0565 |
LMPK07000001 |
s5159 |
ZINC16052277 |
AKOS015900372 |
ZINC100056779 |
ZINC100302137 |
ZINC100611210 |
ZINC109562088 |
CCG-204498 |
DB00254 |
MCULE-4368118692 |
SDCCGSBI-0050391.P005 |
IDI1_000345 |
SMP1_000107 |
NCGC00161602-01 |
NCGC00161602-03 |
NCGC00161602-04 |
NCGC00161602-05 |
NCGC00161602-07 |
NCGC00161602-14 |
NCGC00188979-01 |
(4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide |
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6R,12aS) |
2-Naphthacenecarboxamide, 4-alpha-S-(dimethylamino)-1,4,4a-alpha-5,5a-alpha,6,11,12a-octahydro-3,5-alpha,10,12,12a-alpha-pentahydroxy-6-alpha-methyl-1,11-dioxo- |
AS-13499 |
I455 |
SBI-0050391.P004 |
CS-0009105 |
1368-EP2269978A2 |
1368-EP2269985A2 |
1368-EP2269991A2 |
1368-EP2284150A2 |
1368-EP2284151A2 |
1368-EP2284152A2 |
1368-EP2284153A2 |
1368-EP2284155A2 |
1368-EP2284156A2 |
1368-EP2284164A2 |
1368-EP2287140A2 |
1368-EP2287148A2 |
1368-EP2287150A2 |
1368-EP2289871A1 |
1368-EP2295402A2 |
1368-EP2295419A2 |
1368-EP2298732A1 |
1368-EP2301534A1 |
1368-EP2301912A2 |
1368-EP2301913A1 |
1368-EP2301914A1 |
1368-EP2301916A2 |
1368-EP2305637A2 |
1368-EP2305640A2 |
1368-EP2308863A1 |
1368-EP2311451A1 |
1368-EP2311796A1 |
1368-EP2311797A1 |
1368-EP2311798A1 |
1368-EP2311799A1 |
1368-EP2316450A1 |
C06973 |
D07876 |
AB00053465-03 |
AB00053465_04 |
AB00053465_05 |
564D250 |
A817263 |
Doxycycline, Antibiotic for Culture Media Use Only |
Q422442 |
SR-01000075844-7 |
W-105517 |
SR-01000075844-18 |
(4S,4aR,5S,5aR,6R,12aS)-4-(DiMethylaMino)-3,5,10,12,12a-pentahydroxy-6-Methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxaMidehydrochloride |
(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide |
4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboximidic acid |
7164-70-7 |
Experimental Data
doxycycline
| 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 | 30 | ug/mL | 18.1 | 21.7 | 36.5 | Unclear | 23698443 | ||||||
| Caenorhabditis elegans | 6 | ug/mL | 18.1 | 26.7 | 30.1 | Unclear | 23698443 | ||||||
| Caenorhabditis elegans | 6 | ug/mL | 18.1 | 20.3 | 25.4 | Unclear | 23698443 | ||||||
| Caenorhabditis elegans | 60 | ug/mL | 18.1 | 22.4 | 17.6 | Unclear | 23698443 | ||||||
| Caenorhabditis elegans | 30 | ug/mL | 18.1 | 22.7 | 23.7 | Unclear | 23698443 |
Experimental Data Visualization
doxycycline
Statistics Data
doxycycline
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 36.5 | 1 | 5 |
Statistics Data Visualization
doxycycline
