Dehydrosaussurea lactone

PubChem CID: 556920

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Compound Synonyms	Dehydrosaussurea lactone, Saussurea lactone, dehydro-, ZNTHTBBAGNVESR-UHFFFAOYSA-N, 7-Isopropenyl-6-methyl-3-methylene-6-vinylhexahydro-1-benzofuran-2(3H)-one #, 2(3H)-Benzofuranone, 3a.beta.,4,5,6,7,7a.alpha.-hexahydro-7.alpha.-isopropenyl-6.alpha.-methyl-3-methylene-6-vinyl-, (+)-, 2(3H)-Benzofuranone, 6-ethenylhexahydro-6-methyl-3-methylene-7-(1-methylethenyl)-, [3aS-(3a.alpha.,6.alpha.,7.beta.,7a.beta.)]-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC2CCCCC2C1C
Np Classifier Class	Elemane sesquiterpenoids
Deep Smiles	C=CCC)CCCCC6C=C)C)))OC=O)C5=C
Heavy Atom Count	17.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	CC1C(O)OC2CCCCC21
Classyfire Subclass	Diterpenoids
Isotope Atom Count	0.0
Molecular Complexity	407.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	6-ethenyl-6-methyl-3-methylidene-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	4.2
Gsk 4 400 Rule	True
Molecular Formula	C15H20O2
Scaffold Graph Node Bond Level	C=C1C(=O)OC2CCCCC12
Prediction Swissadme	1.0
Inchi Key	ZNTHTBBAGNVESR-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.5333333333333333
Rotatable Bond Count	2.0
Synonyms	dehydrosaussurea lactone
Esol Class	Soluble
Functional Groups	C=C(C)C, C=C1CCOC1=O, C=CC
Compound Name	Dehydrosaussurea lactone
Prediction Hob Swissadme	1.0
Exact Mass	232.146
Formal Charge	0.0
Monoisotopic Mass	232.146
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	232.32
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.8259025999999996
Inchi	InChI=1S/C15H20O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,11-13H,1-2,4,7-8H2,3,5H3
Smiles	CC(=C)C1C2C(CCC1(C)C=C)C(=C)C(=O)O2
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Sesquiterpenoids

1. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1098/rsos.190211
2. Outgoing r'ship FOUND_IN to/from Costus Afer (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Costus Arabicus (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Costus Speciosus (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
6. Outgoing r'ship FOUND_IN to/from Helenium Amarum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Helenium Arizonicum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Helenium Aromaticum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Helenium Autumnale (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Helenium Bigelovii (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Helenium Elegans (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Helenium Integrifolium (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Helenium Mexicanum (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Helenium Microcephalum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Helenium Puberulum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Helenium Quadridentatum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Helenium Tenuifolium (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Helenium Virginicum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Inula Cappa (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Inula Cuspidata (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Inula Eupatorioides (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Inula Falconeri (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Inula Grandis (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Inula Grantioides (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
27. Outgoing r'ship FOUND_IN to/from Inula Hupehensis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Inula Japonica (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Inula Magnifica (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Inula Nervosa (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Inula Obtusifolia (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Inula Racemosa (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Inula Rhizocephala (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Inula Royleana (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Inula Salsoloides (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Inula Thapsoides (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Jurinea Dolomiaea (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Saussurea Albescens (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Saussurea Amara (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Saussurea Bracteata (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Saussurea Carthamoides (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Saussurea Cordifolia (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
44. Outgoing r'ship FOUND_IN to/from Saussurea Glaciales (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Saussurea Gossypiphora (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Saussurea Involucrata (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Saussurea Jacea (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Saussurea Laneana (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Saussurea Laniceps (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Saussurea Lappa (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Saussurea Medusa (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Saussurea Mimborum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Saussurea Neopulchella (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Saussurea Obvallata (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Saussurea Pantilingiana (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Saussurea Pulchella (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Saussurea Roylei (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Saussurea Salicifolia (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Saussurea Simpsoniana (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Saussurea Stella (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Saussurea Superba (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Saussurea Taraxifolia (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Saussurea Triangulata (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Trixis Inula (Plant) Rel Props:Reference:

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Dehydrosaussurea lactone

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Phytochemical Properties

Associated Connections 65

Plant Connections 65