4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

PubChem CID: 4692

Connections displayed (default: 10).

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Compound Synonyms	parthenolide, 20554-84-1, 4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one, 29552-41-8, MLS003389438, CHEMBL2142363, DTXSID30860250, LSM-6390, NCI60_001132, SMR002049091, SY038109, DB-045279, Q27166906, 1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	18.0
Isotope Atom Count	0.0
Molecular Complexity	437.0
Database Name	cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q99700, Q16236, Q9NUW8, O75874, Q13148, n.a., Q03431
Iupac Name	4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
Prediction Hob	1.0
Class	Prenol lipids
Xlogp	2.3
Superclass	Lipids and lipid-like molecules
Subclass	Terpene lactones
Molecular Formula	C15H20O3
Prediction Swissadme	0.0
Inchi Key	KTEXNACQROZXEV-UHFFFAOYSA-N
Fcsp3	0.6666666666666666
Logs	-3.646
Rotatable Bond Count	0.0
Logd	2.659
Synonyms	Parthenolide, (1ar-(1ar,4E,7as,10as,10br))-isomer
Compound Name	4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	248.141
Formal Charge	0.0
Monoisotopic Mass	248.141
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	248.32
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	1.0
Molecular Framework	Aliphatic heteropolycyclic compounds
Esol	-2.8537963999999993
Inchi	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
Smiles	CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C
Nring	3.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Germacranolides and derivatives

1. Outgoing r'ship FOUND_IN to/from Alstonia Yunnanensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Ambrosia Ambrosioids (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Ambrosia Arborescens (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Ambrosia Artemisiifolia (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Ambrosia Chamissonis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Ambrosia Confertiflora (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Ambrosia Cumanensis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Ambrosia Dumosa (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Ambrosia Grayi (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Ambrosia Hispida (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Ambrosia Maritima (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Ambrosia Polystachya (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Ambrosia Psilostachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
14. Outgoing r'ship FOUND_IN to/from Ambrosia Tenuifolia (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Amentotaxus Yunnanensis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Combretum Yunnanensis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Gaultheria Yunnanensis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Yunnanensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Michelia Alba (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Michelia Champaca (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Michelia Compressa (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Michelia Lanuginosa (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Michelia Longifolia (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Michelia Rajaniana (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Michelia Yunnanensis (Plant) Rel Props:Source_db:npass_chem_all
26. Outgoing r'ship FOUND_IN to/from Morus Yunnanensis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Phlegmariurus Yunnanensis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Pholidota Yunnanensis (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Pinus Yunnanensis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Pleione Yunnanensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Populus Yunnanensis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Rauvolfia Yunnanensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Rubia Yunnanensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Salvia Yunnanensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Sinodielsia Yunnanensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Torreya Fargesii (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Torreya Yunnanensis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Walsura Yunnanensis (Plant) Rel Props:Reference:

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4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

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Phytochemical Properties

Associated Connections 38

Plant Connections 38