Rhodotoxine

PubChem CID: 231125

Connections displayed (default: 10).

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Compound Synonyms	GRAYANOTOXIN 1, Acetyllandromedol, Andromedotoxin, Rhodotoxine, Acetylandromedol, NSC26711, (3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) acetate, Andromedol, acetate, 4720-09-6, (3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo(11.2.1.01,10.04,8)hexadecanyl) acetate, CHEMBL1971906, 7,9a-Methano-9aH-cyclopenta(b)-heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-, NCI60_002155, NS00123919, 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl acetate #, Grayanotoxane-3,6,10,14,16-hexol, 14-acetate, (3.beta.,6.beta.,14R)-, WLN: L E5 B765 A 1B P BXTJ AOV1 DQ EQ F1 F1 GQ JQ J1 OQ O1, 7,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-, 7,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-
Topological Polar Surface Area	127.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	29.0
Isotope Atom Count	0.0
Molecular Complexity	724.0
Database Name	cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	(3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) acetate
Prediction Hob	1.0
Class	Prenol lipids
Xlogp	0.8
Superclass	Lipids and lipid-like molecules
Subclass	Diterpenoids
Molecular Formula	C22H36O7
Prediction Swissadme	1.0
Inchi Key	NXCYBYJXCJWMRY-UHFFFAOYSA-N
Fcsp3	0.9545454545454546
Logs	-2.745
Rotatable Bond Count	2.0
Logd	-0.15
Synonyms	Acetylandromedol, Andromedotoxin
Compound Name	Rhodotoxine
Kingdom	Organic compounds
Prediction Hob Swissadme	1.0
Exact Mass	412.246
Formal Charge	0.0
Monoisotopic Mass	412.246
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	412.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic homopolycyclic compounds
Esol	-2.7948426000000004
Inchi	InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3
Smiles	CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O
Nring	4.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Leucothol and grayanotoxane diterpenoids

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

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Phytochemical Properties

Associated Connections 48

Plant Connections 48