Compound Summary
Compound Information
Deguelin
Compound Name: | Deguelin |
Compound CID: | 107935 |
Synonyms: | Deguelin 522-17-8 (-)-Deguelin (-)-cis-deguelin DEGUELIN(-) More... |
Iupac Name: | (1S,14S)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one |
InChI: | InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1 |
InChIKey: | ORDAZKGHSNRHTD-UXHICEINSA-N |
Canonical Smiles: | CC1(C=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)C |
Isomeric Smiles: | CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)C |
Molecular Weight: | 394.4 |
Molecular Formula: | C23H22O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Deguelin
Molecular Weight: | 394.4 |
Molecular Formula: | C23H22O6 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 29 |
Complexity: | 674 |
Synonyms
Deguelin
| Deguelin | Deguelin |
|---|---|
Deguelin |
522-17-8 |
(-)-Deguelin |
(-)-cis-deguelin |
DEGUELIN(-) |
UNII-K5Z93K66IE |
CHEBI:4357 |
K5Z93K66IE |
MFCD01740600 |
C23H22O6 |
(7as,13as)-13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-3h-bis1benzopyrano3,4-b:6,5-epyran-7(7ah)-one" |
(7aS,13aS)-9,10-Dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-pyrano2,3-c:6,5-fdichromen-7(7aH)-one" |
(7aS,13aS)-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-pyrano2,3-c:6,5-fdichromen-7(7aH)-one. |
SR-01000597503 |
Legumelin |
CCRIS 8104 |
(-)-Deguelin, Mundulea sericea |
Spectrum_001044 |
Tocris-1770 |
Spectrum2_000298 |
Spectrum3_001122 |
Spectrum4_001965 |
Spectrum5_001852 |
SCHEMBL73183 |
BSPBio_002583 |
KBioGR_002434 |
KBioSS_001524 |
SPECTRUM201138 |
MLS006010295 |
SPBio_000236 |
CHEMBL393417 |
KBio2_001524 |
KBio2_004092 |
KBio2_006660 |
KBio3_002083 |
DTXSID10200231 |
HMS1923A05 |
HMS3268E12 |
3H-Bis(1)benzopyrano(3,4-b:6,5-e)pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS-cis)- |
EX-A4158 |
ZINC3978987 |
1702AH |
BDBM50505204 |
CCG-39856 |
LMPK12060019 |
s8132 |
AKOS024456769 |
ACN-053693 |
BCP9000596 |
CS-1802 |
SDCCGMLS-0066380.P001 |
NCGC00025288-01 |
NCGC00025288-02 |
NCGC00025288-03 |
(-)-Deguelin, >98% (HPLC), powder |
AS-56004 |
HY-13425 |
SMR004701363 |
Q5251862 |
SR-01000597503-1 |
SR-01000597503-3 |
SR-01000597503-4 |
BRD-K61401890-001-02-0 |
BRD-K61401890-001-03-8 |
BRD-K61401890-001-04-6 |
(1S,14S)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo12.8.0.03,12.04,9.015,20docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one |
(7aS,13aS)-9,10-Dimethoxy-3,3-dimethyl-13,13a-dihydro-3H,7aH-pyrano2,3-c;6,5-fdichromen-7-one |
13,13aS-Dihydro-9,10-dimethoxy-3,3-dimethyl-3H-1benzopyrano3,4-bpyrano2,3-h1benzopyran-7(7aS)-one |
3H-1Benzopyrano3,4-bpyrano2,3-h1benzopyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)- |
3H-Bis(1)benzopyrano(3,4-b:6,5-e)pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)-" |
Experimental Data
Deguelin
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 20 | umol/L | 48.86 | 45.85 | -6.153 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 16.74 | 15.76 | -5.843 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 44.01 | 43.14 | -1.978 | NS | MALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100 | umol/L | 17.08 | 16.69 | -2.227 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 45.44 | 46.7 | 2.776 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 44.8 | 30.65 | -31.58 | NS | MALES | 33008901 | Inactive |
Experimental Data Visualization
Deguelin
Statistics Data
Deguelin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2.227 | 1 | 2 | |
| Drosophila melanogaster | 2.776 | 1 | 4 |
Statistics Data Visualization
Deguelin
