| Phytochemical Name : Parthenolide |
| PCNDIDP0024 |
| Pubchem CID : 7251185 |
| Molecular formula: C15H20O3 |
| Canonical SMILES : CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
Synonymes : parthenolide|20554-84-1|(-)-Parthenolide|CHEBI:7939|CHEMBL465158|MFCD00134592|(1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one|2RDB26I5ZB|4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone|29552-41-8|partenolide|NSC-157035|Prestwick2_000550|Prestwick3_000550|PARTHENOLIDE [MI]|D0M4KE|Epitope ID:115014|PARTHENOLIDE [INCI]|SCHEMBL8220|BSPBio_000599|BSPBio_001308|MLS002153872|PARTHENOLIDE [USP-RS]|PARTHENOLIDE [WHO-DD]|BPBio1_000659|parthenolide-(alternate-stereo)|SCHEMBL13367522|BCBcMAP01_000041|GTPL12428|Parthenolide, >=98% (HPLC)|4,5alpha-epoxy-6beta-hydroxy-germacra-1(10),11(13)-dien-12-oic acid gamma-lactone|HMS1361B10|HMS1569N21|HMS1791B10|HMS1989B10|HMS2096N21|HMS3402B10|HMS3713N21|BCP10404|EX-A5460|Germacra-1(10),11(13)-dien-12-oic acid, 4,5.alpha.-epoxy-6.beta.-hydroxy-, .gamma.-lactone|HY-N0141|Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, [1aR-(1aR*,4E,7aS*,10aS*,10bR*)]-|PTL|BDBM50552137|AKOS016010226|CCG-208244|CS-1919|IDI1_033778|NCGC00163415-01|NCGC00163415-04|AS-17479|SMR001233226|AB00513860|EN300-21037378|PARTHENOLIDE (CONSTITUENT OF FEVERFEW) [DSC]|Q-100253|(-)-Parthenolide; NSC-157035; NSC 157035; NSC157035|Parthenolide, United States Pharmacopeia (USP) Reference Standard|(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one|(1AR,4E,7AS,10AS,10BS)-2,3,6,7,7A,8,10A,10B-OCTAHYDRO-1A,5-DIMETHYL-8-METHYLENEOXIRENO(9,10)CYCLODECA(1,2-B)FURAN-9(1AH)-ONE|(1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0,2,4]tetradec-7-en-13-one|(3aS,10R,11R,11aS,6E)-3-Methylene-6,10-dimethyl-10,11-epoxy-1-oxa-2,3,3a,4,5,8,9,10,11,11a-decahydro-1H-cyclopentacyclodecene-2-one|4,5.ALPHA.-EPOXY-6.BETA.-HYDROXY-GERMACRA-1(10),11(13)-DIEN-12-OIC ACID .GAMMA.-LACTONE |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.490 |
| Log Po/w (XLOGP3) : 2.340 |
| Log Po/w (WLOGP) : 2.760 |
| Log Po/w (MLOGP) : 2.470 |
| Log Po/w (SILICOS-IT) : 3.120 |
| Consensus Log Po/w : 2.640 |

