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小白菊内酯 | 20554-84-1

小白菊内酯
Parthenolide
20554-84-1
C15H20O3
248.3175
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:小白菊内酯结构式
7251185
小白菊内酯价格
简介
Parthenolide是在药草短舌匹菊中发现的倍半萜内酯。 Parthenolide通过抑制 NF-κB 活化而表现出抗炎活性; 它还可抑制 HDAC1 蛋白而不影响其他I/II类HDAC。
名称和标识符
MDL MFCD00134592
InChIKey KTEXNACQROZXEV-SLXBATTESA-N
Inchi 1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1
SMILES O1[C@@]2([H])[C@]3([H])[C@]([H])(C(=C([H])[H])C(=O)O3)C([H])([H])C([H])([H])C(C([H])([H])[H])=C([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H] |c:25|
别名信息
- 中文别名 -
  • 小白菊内酯
  • Parthenolide 小白菊内酯
  • zzstandard 品牌 小白菊内酯对照品
  • 白菊
  • 欧苷菊
  • 四乙基四氟硼酸盐
  • 小白菊内酯 Parthenolide
  • 小白菊内酯 USP标准品
  • 小白菊内酯 标准品
  • 小白菊内酯(标准品)
  • 小白菊内酯,Parthenolide,植物提取物,标准品,对照品
  • 小白菊内酯对照品
  • 小白菊提取物
  • 小白菊内酯,乌金甙,瑞香素
  • 小白菊内酯(对照品)
- 英文别名 -
  • parthenolide
  • Parthenolide, Tanacetum parthenium
  • (-)-Parthenolide
  • C15H20O3
  • PARTHENOLIDE(P) PrintBack
  • PARTHENOLIDE(SH)
  • 4,5α-Epoxy-6β-hydroxygermacra-1(10),11(13)-dien-12-oic Acid γ-Lactone
  • Parthelide
  • PartheNAlide
  • Germacra-1(10),11(13)-dien-12-oicacid, 4,5a-epoxy-6b-hydroxy-, g-lactone (8CI)
  • Parthenolide(6CI,7CI)
  • [ "4α", "5β-Epoxygermacra-1(10)", "11(13)-dien-12", "6α-olide" ]
  • 344906-67-8
  • 2RDB26I5ZB
  • NSC157035
  • DSSTox_RID_79507
  • DSSTox_CID_20579
  • DSSTox_GSID_40579
  • MEGxp0_000050
  • Parthenolide ((-)-Parthenolide)
  • KTEXNACQROZXEV-SLXBATTESA-N
  • HMS3266B13
  • HMS3675K04
  • HMS3411K04
  • Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-o
  • (1S,2S,4R,7E,11S)-4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
  • Q63409339
  • Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2
  • (1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca
  • Parthenolide
  • HMS2096N21
  • AB00513860
  • BPBio1_000659
  • 20554-84-1
  • CHEBI:7939
  • NSC-157035
  • EX-A5460
  • EN300-21037378
  • PARTHENOLIDE [WHO-DD]
  • 29552-41-8
  • HMS1569N21
  • CCG-208244
  • HMS1361B10
  • Parthenolide, United States Pharmacopeia (USP) Reference Standard
  • MFCD00134592
  • HMS3713N21
  • BSPBio_001308
  • HY-N0141
  • (-)-Parthenolide
  • NSC-157035
  • NSC 157035
  • NSC157035
  • CHEMBL465158
  • BCBcMAP01_000041
  • AKOS016010226
  • partenolide
  • NCGC00163415-04
  • GTPL12428
  • SCHEMBL8220
  • Epitope ID:115014
  • PARTHENOLIDE (CONSTITUENT OF FEVERFEW) [DSC]
  • (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
  • HMS3402B10
  • MLS002153872
  • IDI1_033778
  • Prestwick2_000550
  • PARTHENOLIDE [USP-RS]
  • PARTHENOLIDE [MI]
  • BDBM50552137
  • CS-1919
  • (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
  • SMR001233226
  • PARTHENOLIDE [INCI]
  • AS-17479
  • NCGC00163415-01
  • (1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
  • 4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone
  • (3aS,9aR,10aR,10bS,E)-6,9a-dimethyl-3-methylene-3a,4,5,8,9,9a,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-2(3H)-one
  • BCP10404
  • Prestwick3_000550
  • HMS1989B10
  • SCHEMBL13367522
  • HMS1791B10
  • Parthenolide, >=98% (HPLC)
  • PTL
  • (1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0,2,4]tetradec-7-en-13-one
  • 4,5.ALPHA.-EPOXY-6.BETA.-HYDROXY-GERMACRA-1(10),11(13)-DIEN-12-OIC ACID .GAMMA.-LACTONE
  • parthenolide-(alternate-stereo)
  • Q-100253
  • BSPBio_000599
  • CHEBI:93729
  • (1S,2S,4R,7Z,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
  • (1aR,7aS,10aS,10bS,Z)-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8-hexahydro-11-oxa-bicyclo[8.1.0]undeca-1(10),4-dieno[9,8-b]furan-9(1aH,10aH,10bH)-one
  • SCHEMBL12621120
  • UNII-2RDB26I5ZB
  • 2351146-82-0
  • CHEMBL540445
  • Tox21_110589
  • NSC 157035
  • DTXCID0020579
  • DTXSID2040579
  • BDBM50194429
  • (Z)-(1S,2S,4R,11S)-4,8-Dimethyl-12-methylene-3,14-dioxa-tricyclo[9.3.0.0*2,4*]tetradec-7-en-13-one
  • CAS-20554-84-1
  • CHEMBL477923
  • NCGC00179963-01
  • 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,4E,7aS,10aS,10bS)-
  • Germacra-1(10),11(13)-dien-12-oic acid, 4,5-alpha-epoxy-6-beta-hydroxy-, gamma-lactone
  • parthenolide-(-)
  • EN300-27736664
  • (1S,2S,4R,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0,2,4]tetradec-7-en-13-one
  • NCGC00016748-01
  • Parthenolide 4,5-.alpha.-Epoxy-6-.beta.-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone 4,5-.alpha.-Epoxy-6-.beta.-hydroxygermacra-1(10,11(13)-dien-12-oic acid .gamma.-lactone 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,4E,7aS,10aS,10bR)- (9CI)-
  • Parthenolide 4,5-.alpha.-Epoxy-6-.beta.-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone 4,5-.alpha.-Epoxy-6-.beta.-hydroxygermacra-1(10,11(13)-dien-12-oic acid .gamma.-lactone 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,4E,7aS,10aS,10bR)- (9CI)-
  • (-)-parthenolide
  • (-)-parthenolide
  • Parthenolide,98%
物化性质
实验特性
LogP 2.76200
PSA 38.83000
Merck 7048
折射率 1.533
沸点 394.1±42.0 °C at 760 mmHg
熔点 115-116 °C (lit.)
闪点 166.3±22.5 °C
溶解度 生物体外In Vitro:DMSO溶解度≥ 100 mg/mL(402.71 mM)H2O< 0.1 mg/mL(insoluble)*"≥" means soluble可溶, but saturation unknown溶解度未知.
颜色与性状 Powder
溶解性 未确定
比旋光度 D20 -81.4° (c = 1.04 in chloroform); D22 -71.4° (c = 0.220 in CH2Cl2)
密度 1.1±0.1 g/cm3
计算特性
精确分子量 248.14100
氢键供体数量 0
氢键受体数量 3
可旋转化学键数量 0
同位素质量 248.14124450 g/mol
重原子数量 18
复杂度 437
同位素原子数量 0
确定原子立构中心数量 4
不确定原子立构中心数量 0
确定化学键立构中心数量 1
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.3
表面电荷 0
拓扑分子极性表面积 38.8
分子量 248.32
海关数据
海关编码 29322090
专业数据库参考
PubChemId 7251185
参考资料
Reaxys RN 17582
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