Basic information
- CAS
29552-41-8- Standard SMILES
C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21- InChIKey
KTEXNACQROZXEV-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
LSM-6390 has been reported in Cyathocline purpurea, Magnolia champaca, and other organisms with data available.
Names & identifiers
- Preferred name
- 4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
- IUPAC
- 4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
- English name
- Parthenolide
- Molecular formula
- C15H20O3
- Molecular weight
- 248.32
Names & synonyms
4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-oneMLS003389438MFCD00134592CHEMBL2142363SCHEMBL30383005DTXSID308602502,3,6,7,7a,8,10a,10b-Octahydro-1a,5-dimethyl-8-methyleneoxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-oneLSM-6390NCI60_001132SMR002049091DB-045279Q27166906
Show more names
ParthenlideParthenolide4,5ξ-epoxy-6α-hydroxy-4ξH-germacra-1(10)t,11(13)-dien-12-oic acid-lactone4Xi-germacra-1(10),11(13)-dien-12-oic acid, 4,5-epoxy-6.alpha.-hydroxy-, gamma-lactone2,3,6,7,7a,8,10a,10b-Octahydro-1a,5-dimethyl-8-methyleneoxireno(9,10)cyclodeca(1,2-b)furan-9(1aH)-oneOxireno(9,10)cyclodeca(1,2-B)furan-9(1ah)-one, 2,3,6,7,7A,8,10A,10B-octahydro-1A,5-dimethyl-8-methylene-
4,5alpha-Epoxy-6beta-hydroxygermacra-1(10);11(13)-dien-12-oic acid gamma-lactone4,8-dimethyl-12-methylene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Boiling point
- 394.1 · 394.1±42.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- FDA UNII
- 2 RDB26I5ZB · 2RDB26I5ZB
Chemistry & industry
Applications
UsesParthenolide is an anti-inflammatory agent used in the treatment of ischemic injury. Also acts as an anti-tumor and anti0leukemia agent targetting acute myeloid leukemia.
Suppliers33 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
天津万象恒远科技有限公司15722085254 · [email protected]
长沙上禾生物科技有限公司0731-84213302 18975842720 · [email protected]
南京春秋生物工程有限公司17388075642 13815430202 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
湖北远成药业有限公司18062666904 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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