Kryptocapsin
PubChem CID: 131752094
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| Compound Synonyms | Kryptocapsin, 3'-Hydroxy-b,k-caroten-6'-one, (3'S,5'R)-3'-Hydroxy-beta,kappa-caroten-6'-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 42.0 |
| Description | Constituent of paprika (Capsicum annuum). Cryptocapsin is found in many foods, some of which are pepper (c. annuum), herbs and spices, red bell pepper, and orange bell pepper. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1280.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4Z,6E,8E,10E,12E,14E,16Z,18E)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethyl-19-(2,6,6-trimethylcyclohexen-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 11.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Tetraterpenoids |
| Molecular Formula | C40H56O2 |
| Inchi Key | ITZNDVRDABSNRE-JLPYQHGFSA-N |
| Rotatable Bond Count | 11.0 |
| State | Solid |
| Synonyms | (3'S,5'R)-3'-Hydroxy-beta,kappa-caroten-6'-one, 3'-Hydroxy-b,k-caroten-6'-one, Cryptocapsin, Kryptocapsin, (3's,5'r)-3'-Hydroxy-beta,kappa-caroten-6'-one, 3'-Hydroxy-b,K-caroten-6'-one, Lanost-8-en-26-Oic acid, 3,7,15-trihydroxy-11,23-dioxo-, (3beta,15alpha)- (9ci), 2-Methyl-4-oxo-6-{5,9,12-trihydroxy-2,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoate, Ganoderic acid C2, Ganoderate C2 |
| Compound Name | Kryptocapsin |
| Kingdom | Organic compounds |
| Exact Mass | 568.428 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 568.428 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 568.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 9.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20-,33-21- |
| Smiles | CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C(=O)C2(CC(CC2(C)C)O)C)\C)/C |
| Defined Bond Stereocenter Count | 9.0 |
| Taxonomy Direct Parent | Xanthophylls |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all