Compound Summary
triptolide
Compound Information
triptolide
Compound Name: | triptolide |
Compound CID: | 107985 |
Synonyms: | triptolide 38748-32-2 PG490 Triptolid NSC 163062 More... |
Iupac Name: | (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one |
InChI: | InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1 |
InChIKey: | DFBIRQPKNDILPW-CIVMWXNOSA-N |
Canonical Smiles: | CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C |
Isomeric Smiles: | CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C |
Molecular Weight: | 360.4 |
Molecular Formula: | C20H24O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
triptolide
Molecular Weight: | 360.4 |
Molecular Formula: | C20H24O6 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 26 |
Complexity: | 819 |
Synonyms
triptolide
| triptolide | triptolide |
|---|---|
triptolide |
38748-32-2 |
PG490 |
Triptolid |
NSC 163062 |
UNII-19ALD1S53J |
19ALD1S53J |
CHEBI:9747 |
CHEMBL463763 |
MFCD00210565 |
PG-490 |
NSC-163062 |
Triptolide, Tripterygium wilfordii |
PG 490 |
(5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-Hydroxy-8a-isopropyl-10b-methyl-1,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)2,3:4b,5;2,3:6,7;2,3:8a,9phenanthro1,2-cfuran-3(2H)-one" |
(6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-hydroxy-8a-isopropyl-10b-methyl-1,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)2,3:4b,5;2,3:6,7;2,3:8a,9phenanthro1,2-cfuran-3(2H)-one. |
SMR000466307 |
NSC163062 |
Triptolide, 1 |
CPD000466307 |
BSPBio_001595 |
KBioGR_000315 |
KBioSS_000315 |
MLS000759410 |
MLS001424107 |
MLS006010844 |
SCHEMBL413634 |
DTXSID5041144 |
KBio2_000315 |
KBio2_002883 |
KBio2_005451 |
KBio3_000629 |
KBio3_000630 |
s493 |
Bio2_000315 |
Bio2_000795 |
HMS1361P17 |
HMS1791P17 |
HMS1989P17 |
HMS2051N13 |
HMS3402P17 |
TPL |
ZINC8234271 |
BDBM50241049 |
s3604 |
AKOS022168197 |
AM84923 |
CCG-100957 |
CS-0286 |
DB12025 |
NC00207 |
IDI1_034065 |
NCGC00163411-01 |
NCGC00163411-02 |
NCGC00163411-03 |
NCGC00163411-07 |
BP-25386 |
BS-16697 |
HY-32735 |
NCI60_001223 |
PG490;PG 490;PG-490 |
Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)- |
T2899 |
C09204 |
AB00639938-06 |
AB00639938-08 |
748T322 |
Q906351 |
Q-100450 |
BRD-K39484304-001-02-5 |
BRD-K39484304-001-06-6 |
BRD-K39484304-001-16-5 |
Triptolide, Tripterygium wilfordii - CAS 38748-32-2 |
(1S,2S,4S,5S,7R,8R,9S,11S)-8-Hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo11.7.0.02,4.02,9.05,7.09,11.014,18icos-14(18)-en-17-one |
(1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo11.7.0.02,4.02,9.05,7.09,11.014,18icos-14(18)-en-17-one |
(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno4b,5:6,7:8a,9phenanthro1,2-cfuran-1(3H)-one |
(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-8b-methyl-6a-(propan-2-yl)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno6,7:8a,9:4b,5phenanthro1,2-cfuran-1(3H)-one |
(5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-hydroxy-8a-isopropyl-10b-methyl-2,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)2,3:4b,5;2,3:6,7;2,3:8a,9phenanthro1,2-cfuran-3(1H)-one |
144539-79-7 |
Trisoxireno4b,7:8a,9phenanthro1,2-cfuran-(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, 3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)- |
Trisoxireno4b,7:8a,9phenanthro1,2-cfuran-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, 3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)- |
Experimental Data
triptolide
| 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 | mg/kg | 18.200000000000000 | 21.800000000000000 | 20.100000000000000 | 25.000000000000000 | 29.000000000000000 | 0.160000000000000 | S | N2 | 28471052 | Active | |
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 51.000000000000000 | S | N2 | 31201898 | Active | ||||||
| Saccharomyces cerevisiae | 10.000000000000000 | umol/L | 70.000000000000000 | S | 31201898 | Active | |||||||
| Drosophila melanogaster | 0.005000000000000 | umol/L | 8.000000000000000 | S | 31201898 | Active | |||||||
| Caenorhabditis elegans | 50.000000000000000 | mg/kg | 13.900000000000000 | 33.000000000000000 | 12.700000000000000 | 32.000000000000000 | 33.000000000000000 | 0.030000000000000 | S | N2 | 28471052 | Active | |
| Caenorhabditis elegans | 50.000000000000000 | mg/L | 20.100000000000000 | S | N2 | 31201898 | Active | ||||||
| Caenorhabditis elegans | 50.000000000000000 | mg/kg | 17.900000000000000 | 20.500000000000000 | 14.800000000000000 | 24.000000000000000 | 31.000000000000000 | 0.290000000000000 | S | N2 | 28471052 | Active |
Experimental Data Visualization
triptolide
Statistics Data
triptolide
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 51.000000000000000 | 0.290000000000000 | 2 | 5 |
| Drosophila melanogaster | 8.000000000000000 | 1 | 1 | |
| Saccharomyces cerevisiae | 70.000000000000000 | 1 | 1 |
Statistics Data Visualization
triptolide
