alpha-Zeacarotene
PubChem CID: 6441660
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | alpha-Zeacarotene, 50657-19-7, (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,5,5-trimethylcyclohexene, alpha-Zeacarotene/7',8'-Dihydro-delta-carotene, alpha-Zeacarotene/ 7',8'-Dihydro-delta-carotene, Zeacarotene, I+/--Zeacarotene, 7',8'-Dihydro-b,?-carotene, DTXSID201317733, LMPR01070199, FZ57837 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Carotenoids (C40, ε-Ψ) |
| Deep Smiles | C/C=CC=CC=CC=CC=CC=C[C@H]C=CCCC6C)C)))))C)))))/C)))))/C))))))/C=C/C=C/CC/C=C/CCC=CC)C)))))C)))))C |
| Heavy Atom Count | 40.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Tetraterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1120.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,5,5-trimethylcyclohexene |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H58 |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Inchi Key | IGABZIVJSNQMPZ-DWQNOKSTSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | 7', 8'-dihydro-δ-carotene (α-zeacarotene), α-zea carotene |
| Esol Class | Soluble |
| Functional Groups | C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C, C/C=C(/C)C, CC=C(C)C |
| Compound Name | alpha-Zeacarotene |
| Exact Mass | 538.454 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 538.454 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 538.9 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 9.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1 |
| Smiles | CC1=CCCC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 9.0 |
| Egan Rule | False |
| Np Classifier Superclass | Carotenoids (C40) |
- 1. Outgoing r'ship
FOUND_INto/from Elaeis Guineensis (Plant) Rel Props:Reference:ISBN:9788172362300 - 2. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Reference:ISBN:9788172362140