Epilupeol acetate

PubChem CID: 21155869

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	Epilupeol acetate, 6610-54-4, Isolupenyl acetate, 3-O-Acetylepilupeol, Lup-20(29)-en-3-ol, acetate, (3alpha)-, 3-Epilupenyl acetateacetate, [(1R,3Ar,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate, AKOS040751701
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21
Np Classifier Class	Lupane triterpenoids
Deep Smiles	CC=O)O[C@@H]CC[C@][C@H]C6C)C))CC[C@@][C@@H]6CC[C@H][C@@]6C)CC[C@@][C@@H]6[C@@H]CC5))C=C)C))))C)))))))))C)))))C
Heavy Atom Count	34.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21
Classyfire Subclass	Triterpenoids
Isotope Atom Count	0.0
Molecular Complexity	872.0
Database Name	imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	10.0
Iupac Name	[(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	10.4
Gsk 4 400 Rule	False
Molecular Formula	C32H52O2
Scaffold Graph Node Bond Level	C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21
Inchi Key	ODSSDTBFHAYYMD-OZDORTEPSA-N
Silicos It Class	Poorly soluble
Rotatable Bond Count	3.0
Synonyms	epilupeol acetate
Esol Class	Poorly soluble
Functional Groups	C=C(C)C, CC(=O)OC
Compound Name	Epilupeol acetate
Exact Mass	468.397
Formal Charge	0.0
Monoisotopic Mass	468.397
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	468.8
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Inchi	InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26+,27+,29+,30-,31+,32+/m0/s1
Smiles	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Triterpenoids

1. Outgoing r'ship FOUND_IN to/from Ardisia Crispa (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Baccharis Angustifolia (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Baccharis Dracunculifolia (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Baccharis Flabellata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Baccharis Grandicapitulata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Baccharis Indica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Baccharis Latifolia (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Baccharis Linearis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Baccharis Macraei (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Baccharis Magellanica (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Baccharis Megapotamica (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Baccharis Minutiflora (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Baccharis Neglecta (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Baccharis Patagonica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Baccharis Potosina (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Baccharis Sagittalis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Baccharis Santelicis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Baccharis Sarothroides (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Baccharis Solieri (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Baccharis Thesioides (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Baccharis Trimera (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Baccharis Truncata (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Blumea Sessiliflora (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Buddleja Crispa (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Crepis Czerepanovii (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Crepis Flexuosa (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Crepis Foetida (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Crepis Pygmaea (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Crotalaria Pulchra (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Crotalaria Sessiliflora (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Dolichandrone Crispa (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Euclea Crispa (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Euphorbia Maddenii (Plant) Rel Props:Reference:ISBN:9788185042114
34. Outgoing r'ship FOUND_IN to/from Globba Sessiliflora (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Iris Decora (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Kaempferia Pulchra (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Leea Crispa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Limnophila Sessiliflora (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Malva Crispa (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Melaleuca Decora (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Melicope Sarcococca (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Melicope Semecarpifolia (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Melicope Triphylla (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Mikania Cordata (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Mikania Cordifolia (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Mikania Goyazensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Mikania Grazielae (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Mikania Luetzelburgii (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Mikania Mendocina (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Mikania Micarantha (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Mikania Oblongifolia (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Mikania Obtusata (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Mikania Scandens (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Mikania Scandensa (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Pedicularis Decora (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Pentanema Indicum (Plant) Rel Props:Reference:ISBN:9788185042145
57. Outgoing r'ship FOUND_IN to/from Perilla Frutescens (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Persicaria Pulchra (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Pulicaria Crispa (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Quercus Sessiliflora (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Swertia Decora (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Tabernaemontana Crispa (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Tinospora Crispa (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Werneria Decora (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

Epilupeol acetate

Graph

Phytochemical Properties

Associated Connections 64

Plant Connections 64