Chichipegenin
PubChem CID: 612548
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| Compound Synonyms | Chichipegenin, Camelliagenin A, 8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol, theasapogenol D, Olean-12-ene-3.beta.,16.beta.,22.alpha.,28-tetrol, Olean-12-ene-3,16,22,28-tetrol, (3.beta.,16.beta.,22.alpha.)-, Theasapogenin I, CHEBI:175743, Olean-12-ene-3,16,22,28-tetrol #, Olean-12-ene-3beta,16beta,22alpha,28-tetrol, Olean-12-ene-3,16,22,28-tetrol, (3beta,16beta,22alpha)-, 474-15-7 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 34.0 |
| Description | Sapogenin from the seeds of Camellia japonica. Camelliagenin A is found in tea and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 877.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 5.8 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Triterpenoids |
| Molecular Formula | C30H50O4 |
| Inchi Key | CTNHZEZBBGIUJB-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | (3beta,16alpha,22alpha)-Olean-12-ene-3,16,22,28-tetrol, Barrigenol A2, Camelliagenin A, Camelliasapogenol I, Dihydropriverogenin A, Olean-12-ene-3,16,22,28-tetrol, (3beta,16alpha,22alpha)-, Proschiwalligenin PA2, Theasapogenin I, Theasapogenol D, Barrigenol a2, Dihydropriverogenin a, Proschiwalligenin pa2, Chichipegenin |
| Compound Name | Chichipegenin |
| Kingdom | Organic compounds |
| Exact Mass | 474.371 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 474.371 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 474.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3 |
| Smiles | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)C)O)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all