Testolactone
PubChem CID: 13769
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| Compound Synonyms | testolactone, Teslac, 968-93-4, Teolit, Fludestrin, Testolacton, 1-Dehydrotestololactone, delta(1)-Testololactone, 1,2-Didehydrotestololactone, Testolactona, Testolattone [DCIT], Testolactonum, Testolattone, Testolactonum [INN-Latin], Testolactona [INN-Spanish], D-Homo-17A-oxaandrosta-1,4-diene-3,17-dione, SQ 9538, Testololactone, 1-dehydro-, SQ-9538, delta(1)-Dehydrotestolactone, Testolactone ciii, 13-Hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid delta-lactone, delta1-Testololactone, Teslak, NSC-23759, Delta-1-testololactone, Testololactone, 1,2-didehydro-, HSDB 3255, 1,2-Dehydrotestololactone, EINECS 213-534-6, UNII-6J9BLA949Q, NSC 23759, 6J9BLA949Q, CHEBI:9460, 17alpha-Oxo-D-homo-1,4-androstadiene-3,17-dione, DTXSID2023644, therapeutic testolactone, 3-oxo-13,17-secoandrosta-1,4-dieno-17,13alpha-lactone, (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione, DTXCID303644, Testolactone [USAN:USP:INN], (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione, 1,2,3,4,4a,4b,7,9,10,10a-Decahydro-2-hydroxy-2,4b-dimethyl-7-oxo-1-phenanthrenepropionic acid delta-lactone, NSC23759, 13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, delta-lactone, delta(1)-Testolactone, Testolactonum (INN-Latin), Testolactona (INN-Spanish), TESTOLACTONE (USP-RS), TESTOLACTONE [USP-RS], Testolactone (USAN:USP:INN), 1 Dehydrotestolactone, 1-Dehydrotestolactone, TESTOLACTONE (USP IMPURITY), TESTOLACTONE [USP IMPURITY], TESTOLACTONE CIII (USP-RS), TESTOLACTONE CIII [USP-RS], NSC 12173, (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(3H)-dione, .DELTA.1-Testololactone, .DELTA.1-Dehydrotestolactone, TESLAC (TN), Testolactone (USP/INN), .DELTA.1-Dehydrotestololactone, NCGC00159329-02, (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho(2,1-f)chromene-2,8(4bH)-dione, Delta1-Testolactone, TESTOLACTONE [MI], TESTOLACTONE [INN], TESTOLACTONE [HSDB], TESTOLACTONE [USAN], SCHEMBL4053, Testololactone,2-didehydro-, CHEMBL1571, TESTOLACTONE [VANDF], TESTOLACTONE [WHO-DD], GTPL7303, BPEWUONYVDABNZ-DZBHQSCQSA-N, HMS3750O07, TESTOLACTONE [ORANGE BOOK], BCP10926, Tox21_111576, BDBM50367848, LMST02020084, 17a-Oxa-D-homoandrosta-1,17-dione, D-Homo-17a-oxaandrosta-1,17-dione, DELTA(1)-DEHYDROTESTOLOLACTONE, AKOS015840139, CS-5268, DB00894, CAS-968-93-4, HY-13763, NCI60_001908, NS00004469, C02197, D00153, Q3985253, BRD-K69636617-001-01-7, 13,4-dien-17-oic acid, 13-hydroxy-3-oxo-, lactone, 13-Hydroxy-3-oxo-13,4-dien-17-oic acid .delta.-lactone, 13,4-dien-17-oic acid, 13-hydroxy-3-oxo-, .delta.-lactone, 13-Hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid lactone, 13,4-dien-17-oic acid, 13.alpha.-hydroxy-3-oxo-, .delta.-lactone, 13-Hydroxy-3-0x0-13,17-secoandrosta-1,4-dien-17-oic Acid Delta-Lactone, 213-534-6, 2H-Phenanthro[2,8(4bH)-dione, 3,4,4a,5,6,10a,10b,11,12,12a-decahydro-10a,12a-dimethyl-, lactone |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 602.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P11511, P22443, n.a., P0DTD1, P10275 |
| Iupac Name | (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT441 |
| Xlogp | 3.0 |
| Molecular Formula | C19H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BPEWUONYVDABNZ-DZBHQSCQSA-N |
| Fcsp3 | 0.6842105263157895 |
| Logs | -4.219 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.411 |
| Compound Name | Testolactone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 300.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6113676 |
| Inchi | InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1 |
| Smiles | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Microcos Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all