CID 5468405
PubChem CID: 5468405
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| Compound Synonyms | NSC669697, CHEMBL1976243, NSC-669697 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | OTNYCNDIGKWKTO-RCXJYNBZSA-N |
| Rotatable Bond Count | 15.0 |
| Heavy Atom Count | 39.0 |
| Compound Name | CID 5468405 |
| Description | 5 is a member of the class of compounds known as diterpene lactones. Diterpene lactones are diterpenoids containing a lactone moiety. 5 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5 can be found in roman camomile, which makes 5 a potential biomarker for the consumption of this food product. 5 is a non-carcinogenic (not listed by IARC) potentially toxic compound. 5 (five ) is a number, numeral, and glyph. It is the natural number following 4 and preceding 6 . Manganese mainly affects the nervous system and may cause behavioral changes and other nervous system effects, which include movements that may become slow and clumsy. This combination of symptoms when sufficiently severe is referred to as “manganism” (L228) (T3DB). |
| Exact Mass | 540.381 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 540.381 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1030.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 540.8 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-propyl-6-[(4E,7E,10E,12E,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 5.0 |
| Inchi | InChI=1S/C34H52O5/c1-10-13-29-17-19-31(39-34(29)38)28(9)33(37)26(7)15-12-14-22(3)20-24(5)21-23(4)16-18-30(35)27(8)32(36)25(6)11-2/h11,14-17,19,21,27-28,30,32-33,35-37H,10,12-13,18,20H2,1-9H3/b22-14+,23-16+,24-21+,25-11+,26-15+ |
| Smiles | CCCC1=CC=C(OC1=O)C(C)C(/C(=C/C/C=C(\C)/C/C(=C/C(=C/CC(C(C)C(/C(=C/C)/C)O)O)/C)/C)/C)O |
| Xlogp | 8.9 |
| Defined Bond Stereocenter Count | 5.0 |
| Molecular Formula | C34H52O5 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:fooddb_chem_all