Compound Summary
Compound Information
santonin
Compound Name: | santonin |
Compound CID: | 221071 |
Synonyms: | santonin alpha-Santonin 481-06-1 (-)-alpha-Santonin Semenen More... |
Iupac Name: | (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione |
InChI: | InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1 |
InChIKey: | XJHDMGJURBVLLE-BOCCBSBMSA-N |
Canonical Smiles: | CC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C |
Isomeric Smiles: | C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C |
Molecular Weight: | 246.3 |
Molecular Formula: | C15H18O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
santonin
Molecular Weight: | 246.3 |
Molecular Formula: | C15H18O3 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 18 |
Complexity: | 500 |
Synonyms
santonin
| santonin | santonin |
|---|---|
santonin |
alpha-Santonin |
481-06-1 |
(-)-alpha-Santonin |
Semenen |
Santoninum |
Santoninic anhydride |
(-)-Santonine |
(-)-Santonin |
NSC4900 |
NSC-4900 |
1VL8J38ERO |
CHEBI:16363 |
.alpha.-Santonin |
(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzog1benzofuran-2,8-dione |
(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho1,2-bfuran-2,8(3H,4H)-dione |
NSC 4900 |
a-Santonin |
l-.alpha.-Santonin |
L-alpha-Santonin |
(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzogbenzofuran-2,8-dione |
Santonin JAN |
naphtho1,2-bfuran-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)- |
(-)-.alpha.-Santonin |
Santonin JAN:NF |
SR-01000635568 |
UNII-1VL8J38ERO |
NCGC00016461-01 |
Santonin (TN) |
(3S,3AS,5AS,9BS)-3A,5,5A,9B-TETRAHYDRO-3,5A,9-TRIMETHYLNAPHTHO(1,2-B)FURAN-2,8(3H,4H)-DIONE |
(3S,3aS,5aS,9bS)-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho1,2-bfuran-2,8(3H,4H)-dione |
CAS-481-06-1 |
Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)- |
()-alpha-Santonin |
EINECS 207-560-7 |
MFCD00135865 |
NSC 41311 |
SANTONINE |
Santonin (JP17) |
Spectrum_000790 |
SpecPlus_000318 |
AI3-19471 |
(-)- alpha -Santonin |
Prestwick0_001070 |
Prestwick1_001070 |
Prestwick2_001070 |
Prestwick3_001070 |
Spectrum2_000699 |
Spectrum3_001245 |
Spectrum4_001476 |
Spectrum5_000151 |
SANTONINUM HPUS |
SANTONIN MART. |
SANTONIN WHO-DD |
UPCMLD-DP084 |
(3S,5aS,9bS)-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho1,2-bfuran-2,8(3H,4H)dione |
BSPBio_001060 |
BSPBio_002750 |
KBioGR_002051 |
KBioSS_001270 |
SPECTRUM300542 |
MLS002154141 |
DivK1c_006414 |
SPBio_000857 |
SPBio_002970 |
alpha-Santonin; (-)-Santonin |
BPBio1_001166 |
CHEMBL259254 |
MEGxp0_001636 |
SCHEMBL1133565 |
.ALPHA.-SANTONIN MI |
DTXSID7045312 |
UPCMLD-DP084:001 |
KBio1_001358 |
KBio2_001270 |
KBio2_003838 |
KBio2_006406 |
KBio3_002250 |
(-)-alpha-Santonin, >=99% |
HMS1571E22 |
HMS2098E22 |
HMS2268H12 |
HY-B1761 |
ZINC3881689 |
Tox21_110445 |
CCG-40021 |
s3999 |
11-Epiisoeusantona-1,4-dienic acid, 6alpha-hydroxy-3-oxo-, gamma-lactone |
AKOS015895177 |
Tox21_110445_1 |
LMPR0103190001 |
SDCCGMLS-0066491.P001 |
(3S)-2,3,3a,4,5,5a,8,9bbeta-Octahydro-3,5abeta,9-trimethylnaphtho(1,2-b)furan-2,8-dion |
Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-(-)- |
Naphtho(1,2-b)puran-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl- |
(-)-alpha-Santonin, analytical standard |
NCGC00161640-01 |
NCGC00161640-02 |
NCGC00161640-03 |
NCGC00263447-01 |
SMR000112520 |
AB00376930 |
CS-0013789 |
S0521 |
EN300-34530 |
C02206 |
D00154 |
WLN: T B566 COV LV IHTT&J E1 I1 M1 |
A827469 |
Q413166 |
SR-01000635568-1 |
SR-01000635568-4 |
SR-01000635568-5 |
BRD-K58787433-001-05-4 |
BRD-K58787433-001-08-8 |
BRD-K58787433-001-12-0 |
Santonin, European Pharmacopoeia (EP) Reference Standard |
11-Epiisoeusantona-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone |
3-(6-NITRO-2-OXO-1,3-BENZOXAZOL-3(2H)-YL)PROPANOICACID |
Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)- |
(11S)-6alpha-hydroxy-3-oxoeudesma-1,4-dien-12-oic acid gamma-lactone |
6alpha-hydroxy-3-oxo-11-epiisoeusantona-1,4-dienic acid gamma-lactone |
Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-(-)- |
Naphtho1,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl- |
3a,5,5a,9b-Tetrahydro-3,5a,9-trimethyl-naphtho1,2-bpuran-2,8(3H,4H)-dione |
Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)- |
(3S,3AS,5AS)-3,5A,9-TRIMETHYL-3A,4,5,5A-TETRAHYDRONAPHTHO(1,2-B)FURAN-2,8(3H,9BH)-DIONE |
(3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-Octahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8-dione |
(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,8H,9bH-naphtho1,2-bfuran-2,8-dione |
(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho1,2-bfuran-2,8(3H,9bH)-dione |
1,3,4,4a,7-Hexahydro-1-hydroxy-.alpha., 4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid .gamma.-lactone |
Naphtho1,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, 3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)- |
Experimental Data
santonin
| 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 | 50 | umol/L | -9.88 | S | N2 | 30970250 | Inactive |
Experimental Data Visualization
santonin
Statistics Data
santonin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -9.88 | 1 | 1 |
Statistics Data Visualization
santonin
