Fastigilin B

PubChem CID: 442241

Connections displayed (default: 10).

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Compound Synonyms	Fastigilin B, 6995-11-5, FASTIGILIIN B, CHEBI:4982, [(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate, CHEMBL1213003, NSC176503, AC1L9CH2, DTXSID30331778, C09451, Q27106605
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	26.0
Isotope Atom Count	0.0
Molecular Complexity	703.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Uniprot Id	P29597, P53778
Iupac Name	[(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
Prediction Hob	1.0
Xlogp	2.6
Molecular Formula	C20H26O6
Prediction Swissadme	1.0
Inchi Key	DLISCHVYLYGCNV-HJDABSCOSA-N
Fcsp3	0.65
Logs	-3.144
Rotatable Bond Count	3.0
Logd	1.361
Compound Name	Fastigilin B
Prediction Hob Swissadme	1.0
Exact Mass	362.173
Formal Charge	0.0
Monoisotopic Mass	362.173
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	362.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Esol	-3.508116400000001
Inchi	InChI=1S/C20H26O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10-12,15-18,23H,1-5H3/t10-,11-,12-,15+,16+,17-,18-,20-/m0/s1
Smiles	C[C@H]1[C@@H]2C=CC(=O)[C@]2([C@H]([C@@H]3[C@@H](C(=O)O[C@@H]3[C@@H]1O)C)OC(=O)C=C(C)C)C
Nring	3.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Baileya Multiradiata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
2. Outgoing r'ship FOUND_IN to/from Baileya Pauciradiata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Baileya Pleniradiata (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Grewia Tenax (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Haplophyllum Dauricum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Menispermum Dauricum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Phormium Tenax (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
8. Outgoing r'ship FOUND_IN to/from Rhododendron Anthopogon (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Rhododendron Anthopogonoides (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Rhododendron Arboreum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Rhododendron Aureum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Rhododendron Barbatum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Rhododendron Brachycarpum (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Rhododendron Campanulatum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Rhododendron Campylocarpum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Rhododendron Capitatum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Rhododendron Cinnabarinum (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Rhododendron Collettianum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Rhododendron Dahuricum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
21. Outgoing r'ship FOUND_IN to/from Rhododendron Edgeworthii (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Rhododendron Ellipticum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Rhododendron Falconeri (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Rhododendron Farrerae (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Rhododendron Fauriei (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Rhododendron Ferrugineum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Rhododendron Formosanum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Rhododendron Formosum (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Rhododendron Grande (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Rhododendron Hodgsonii (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Rhododendron Japonicum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Rhododendron Javanicum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Rhododendron Latoucheae (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Rhododendron Lepidotum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Rhododendron Luteum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Rhododendron Maximum (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Rhododendron Metternichii (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Rhododendron Micranthum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Rhododendron Molle (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Rhododendron Mucronatum (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Rhododendron Mucronulatum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Rhododendron Niveum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Rhododendron Ovatum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Rhododendron Ponticum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Rhododendron Przewalskii (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Rhododendron Simsii (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Rhododendron Spiciforme (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Rhododendron Thomsonii (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Rhododendron Tomentosum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Rhododendron Ungerni (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Rhododendron Vaccinioides (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Rhododendron Veitchianum (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Rhododendron Webbianum (Plant) Rel Props:Reference:

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Fastigilin B

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Phytochemical Properties

Associated Connections 53

Plant Connections 53