Compound Summary

santonin
  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 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
Caenorhabditis elegans 50.000000000000000 umol/L -9.880000000000000 S N2 30970250 Inactive
  Experimental Data Visualization
 santonin

  Statistics Data
 santonin

Species Avg/Med Lifespan Change(%) Max Lifespan Change(%) Count Reference Count Data point
Caenorhabditis elegans -9.880000000000000 1 1
  Statistics Data Visualization
 santonin

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