Compound Summary
Esculin
Compound Information
Esculin
Compound Name: | Esculin |
Compound CID: | 5281417 |
Synonyms: | Esculin aesculin 531-75-9 Esculoside Polychrome More... |
Iupac Name: | 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
InChI: | InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 |
InChIKey: | XHCADAYNFIFUHF-TVKJYDDYSA-N |
Canonical Smiles: | C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O |
Isomeric Smiles: | C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
Molecular Weight: | 340.28 |
Molecular Formula: | C15H16O9 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Esculin
Molecular Weight: | 340.28 |
Molecular Formula: | C15H16O9 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 24 |
Complexity: | 495 |
Synonyms
Esculin
| Esculin | Esculin |
|---|---|
Esculin |
aesculin |
531-75-9 |
Esculoside |
Polychrome |
(-)-Esculin |
Bicolorin |
Crataegin |
Esculine |
Polychrom |
Esculetin 6-O-glucoside |
Vitamin C2 |
6,7-Dihydroxycoumarin 6-glucoside |
Esculetin 6-beta-D-glucoside |
6,7-Dihydroxycoumarin-6-O-glucoside |
Enallachrome |
Escosyl |
UNII-1Y1L18LQAF |
6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin |
CHEBI:4853 |
7-Hydroxy-6-cumarinyl-glucosid |
6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one |
1Y1L18LQAF |
7-hydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one |
7-Hydroxy-6-glucosyloxy-2H-chromene |
NSC-26665 |
Venoplant |
Esculin sesquihydrate |
MFCD00149492 |
7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside |
Aesculetin glukosid |
7-hydroxy-6-{(2S,3R,4S,5S,6R)-3,4,5-trihydroxy- 6-(hydroxymethyl)-2-tetrahydropyranyloxy}-2-chromenone |
66778-17-4 |
Aesculinum |
Schillerstoff |
CCRIS 5724 |
SR-01000633930 |
esculetin glukosid |
NCGC00016491-01 |
7-hydroxy-6-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxychromen-2-one |
CAS-531-75-9 |
Aesculin (Esculin) |
EINECS 208-517-5 |
7-Hydroxy-6-glucosyloxy-2H-chromen |
NSC 26665 |
Aesculin sesquihydrate |
Spectrum_000361 |
Spectrum2_000576 |
Spectrum3_000731 |
Spectrum4_001923 |
Spectrum5_000845 |
Esculetin 6-b-D-glucoside |
SCHEMBL2893 |
DSSTox_CID_25318 |
DSSTox_RID_80798 |
DSSTox_GSID_45318 |
BSPBio_002282 |
KBioGR_002266 |
KBioSS_000841 |
DivK1c_000956 |
SPECTRUM1500901 |
SPBio_000392 |
CHEMBL482581 |
DTXSID7045318 |
Esculetin-6-b-D-glucopyranoside |
BCBcMAP01_000202 |
Esculetin 6-.beta.-D-glucoside |
HMS502P18 |
KBio1_000956 |
KBio2_000841 |
KBio2_003409 |
KBio2_005977 |
KBio3_001502 |
NINDS_000956 |
HMS1921M16 |
Esculetin-6-beta-D-glucopyranoside |
2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy- |
HY-N0188 |
ZINC3860441 |
Tox21_110453 |
BDBM50480261 |
CCG-38501 |
MFCD00006879 |
s2258 |
AKOS015895151 |
DB13155 |
EBD2138591 |
MCULE-8058387809 |
SDCCGMLS-0066653.P001 |
IDI1_000956 |
SMP1_000008 |
6,7-Dihydroxycoumarine-6-glucopyranoside |
NCGC00094874-04 |
CS-0007892 |
N1766 |
7-Hydroxycoumarin-6-yl beta-D-Glucopyranoside |
C09264 |
6-(.beta.-D-Glucopyranosyloxy)-7-hydroxy-cumarin |
A829428 |
Q376432 |
6,7-dihydroxycoumarin 6-(beta-D-glucopyranoside); |
SR-01000633930-1 |
SR-01000633930-3 |
BRD-K51742987-001-02-3 |
BRD-K51742987-002-02-1 |
Esculin, European Pharmacopoeia (EP) Reference Standard |
6-(.beta.-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one |
7-hydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-2H-chromen-2-one |
7-hydroxy-6-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yloxy-chromen-2-one hydrate;Esculin Sesquihydrate |
Experimental Data
Esculin
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Lutzomyia longipalpis | 2.600000000000000 | mM | 15.000000000000000 | 13.000000000000000 | -13.000000000000000 | S | FEMALES | 30501613 | Inactive | ||||
| Lutzomyia longipalpis | 2.600000000000000 | mM | 17.000000000000000 | 15.000000000000000 | -12.000000000000000 | NS | MALES | 30501613 | Inactive |
Experimental Data Visualization
Esculin
Statistics Data
Esculin
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Lutzomyia longipalpis | -12.000000000000000 | 1 | 2 |
Statistics Data Visualization
Esculin
