Presenegenin

PubChem CID: 21594224

Connections displayed (default: 10).

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Compound Synonyms	Presenegenin, SCHEMBL1050055, (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Topological Polar Surface Area	135.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	37.0
Isotope Atom Count	0.0
Molecular Complexity	1030.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	10.0
Iupac Name	(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Prediction Hob	0.0
Xlogp	4.4
Molecular Formula	C30H46O7
Prediction Swissadme	0.0
Inchi Key	VGTALXLMFZXQSK-XIZCRSLYSA-N
Fcsp3	0.8666666666666667
Logs	-3.029
Rotatable Bond Count	3.0
Logd	1.919
Compound Name	Presenegenin
Prediction Hob Swissadme	0.0
Exact Mass	518.324
Formal Charge	0.0
Monoisotopic Mass	518.324
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	518.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Esol	-5.604684200000002
Inchi	InChI=1S/C30H46O7/c1-25(2)10-11-29(24(36)37)12-13-30(16-31)17(18(29)14-25)6-7-20-26(3)15-19(32)22(33)28(5,23(34)35)21(26)8-9-27(20,30)4/h6,18-22,31-33H,7-16H2,1-5H3,(H,34,35)(H,36,37)/t18-,19-,20+,21+,22-,26+,27+,28-,29-,30-/m0/s1
Smiles	C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)CO)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C
Nring	5.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Achillea Sibirica (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Ambrosia Tenuifolia (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Cheilanthes Tenuifolia (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Cheilosoria Tenuifolia (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Iris Sibirica (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Liatris Tenuifolia (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Luisia Tenuifolia (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Monodora Tenuifolia (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Osyris Tenuifolia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Persicaria Sibirica (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Pinus Sibirica (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Polygala Amara (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Polygala Amarella (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Polygala Arillata (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Polygala Arvensis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Polygala Aureocauda (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Polygala Caudata (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Polygala Chinensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Polygala Crotalarioides (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Polygala Elongata (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Polygala Emodi (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Polygala Erioptera (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Polygala Fallax (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Polygala Fruticosa (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Polygala Glomerata (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Polygala Irregularis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Polygala Leptalea (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Polygala Longifolia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Polygala Macradenia (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Polygala Myrtifolia (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Polygala Paenea (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Polygala Peltatum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Polygala Persicariaefolia (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Polygala Reinii (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Polygala Ruwenzoriensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Polygala Sabulosa (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Polygala Senega (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
39. Outgoing r'ship FOUND_IN to/from Polygala Telephioides (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
41. Outgoing r'ship FOUND_IN to/from Polygala Vulgaris (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Prunus Sibirica (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Schizonepeta Tenuifolia (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Senegalia Tenuifolia (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Tagetes Tenuifolia (Plant) Rel Props:Reference:

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Presenegenin

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Phytochemical Properties

Associated Connections 45

Plant Connections 45