Guggulsterone
PubChem CID: 6450278
Connections displayed (default: 10).
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| Compound Synonyms | (Z)-Guggulsterone, Z-Guggulsterone, 39025-23-5, Guggulsterone, 95975-55-6, Cis-Guggulsterone, GUGGULSTERONE Z, Guggulsterone E&Z, Guggulsterone, (Z)-, Guggulsterones Z, 6CST3U34GN, (Z)-Pregna-4,17(20)-diene-3,16-dione, DTXSID1033539, (17Z)-Guggulsterone, Z/E-Guggulsterone, Pregna-4,17(20)-diene-3,16-dione, (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione, GUGGULSTERONE Z-FORM, Pregna-4,17(20)-diene-3,16-dione, (17Z)-, DTXCID9013539, GUGGULSTERONE Z [USP-RS], GUGGULSTERONE Z-FORM [MI], 4,17(20)-cis-Pregnadiene-3,6-dione, (17Z)-Pregna-4,17(20)-diene-3,16-dione, GUGGULSTERONE Z (CONSTITUENT OF GUGGUL) [DSC], GUGGULSTERONE Z (USP-RS), Guggulsterone, Guglip, Gugulipid, , Guggulsterones E&Z, UNII-6CST3U34GN, DTXSID80274222, (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta(a)phenanthrene-3,16-dione, GS, MFCD01310757, (Z&E)-Guggulsterone, E/Z-GUGGULSTERONE, GUGGULSTERONE [MI], SCHEMBL141657, GUGGULSTERONE [WHO-DD], CHEMBL410683, BDBM21725, DTXCID60196615, CHEBI:135338, CHEBI:229515, BCP18087, Tox21_202518, AKOS015963432, (Z)-Guggulsterone, analytical standard, AC-6215, CCG-267610, FG41868, FG76695, NCGC00091910-01, NCGC00260067-01, AC-28813, AS-79083, DA-53782, DA-68827, pregna-4,17Z(20)-diene-3,16-dione, (17Z)-pregna-4,17-diene-3,16-dione, 4,17(20)-trans-Pregnadiene-3,16-dione, CAS-39025-23-5, HY-107738, CS-0029421, S3792, (Z)-Guggulsterone, >=89% (HPLC), powder, G60934, GUGGULSTERONE Z (CONSTITUENT OF GUGGUL), COMPONENT OF GUGGULU, COMMIPHORA MUKUL RESIN, BRD-K26674531-001-01-3, BRD-K26674531-001-02-1, Q27264514, Guggulsterone Z, United States Pharmacopeia (USP) Reference Standard, (17Z)-Pregna-4,17(20)-diene-3,16-dione, (17Z)-Pregna-4,17(20)-diene-3,16-dione, 4,17(20)-trans-Pregnadiene-3,16-dione, (1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,13-dione, (1Z,3aS,3bR,9aR,9bS,11aS)-1-ethylidene-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,7-dione, 609-604-4 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 640.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | Q96RI1, P04150, P08235, P06401, P10275, O75469, P03372, P04054, Q16665, Q16637, P00352, P19793, P10828, Q12809, Q03181, P37231, P11473, Q16236, Q9R1A7, P51449, n.a., P0DTD1 |
| Iupac Name | (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT540, NPT249, NPT541, NPT542, NPT153, NPT543, NPT211, NPT93, NPT94 |
| Xlogp | 3.9 |
| Molecular Formula | C21H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WDXRGPWQVHZTQJ-OSJVMJFVSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -4.409 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.608 |
| Compound Name | Guggulsterone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.2594086 |
| Inchi | InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1 |
| Smiles | C/C=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abutilon Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angylocalyx Oligophyllus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Eucalyptus Microcorys (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Eupatorium Inulifolium (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Hedera Rhombea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Tricalysia Okelensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all