5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-b,b-caroten-3-ol
PubChem CID: 131750919
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| Compound Synonyms | 5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-b,b-caroten-3-ol, 5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-beta,beta-caroten-3-ol |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 43.0 |
| Description | Isolated from Prunus persica (peach) and fruits of Averrhoa carambola. Cryptochrome is found in star fruit, fruits, and peach. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1340.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(2Z,4Z,6E,8Z,10E,12E,14Z)-15-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol |
| Nih Violation | True |
| Class | Benzofurans |
| Xlogp | 10.2 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Tetraterpenoids |
| Molecular Formula | C40H56O3 |
| Inchi Key | KCYOZNARADAZIZ-IKRNEZJGSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | 5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-b,b-caroten-3-ol, 5,8:5',8'-diepoxy-5,5',8,8'-tetrahydro-beta,beta-caroten-3-ol, Cryptochrome, 5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-beta,beta-caroten-3-ol, Cryptochromes, Cryptochrome proteins |
| Substituent Name | Benzofuran, Dihydrofuran, Cyclic alcohol, Secondary alcohol, Oxacycle, Ether, Dialkyl ether, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic heteropolycyclic compound |
| Compound Name | 5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-b,b-caroten-3-ol |
| Kingdom | Organic compounds |
| Exact Mass | 584.423 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 584.423 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 584.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 7.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11-,18-13+,19-14-,28-16+,29-17+,30-20-,31-21- |
| Smiles | C/C(=C\C=C/C=C(\C)/C=C\C=C(\C)/C1C=C2C(CC(CC2(O1)C)O)(C)C)/C=C/C=C(/C)\C3C=C4C(CCCC4(O3)C)(C)C |
| Defined Bond Stereocenter Count | 7.0 |
| Taxonomy Direct Parent | Tetraterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Averrhoa Carambola (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:fooddb_chem_all