Norbixin
PubChem CID: 5281249
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| Compound Synonyms | Norbixin, 542-40-5, NORBIXIN(P), 6,6'-Diapo-psi,psi-carotenedioic acid, CHEBI:7623, E8M59E17AI, trans-norbixin, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid, E 160b, EINECS 208-810-8, 9'-cis-Diapo-omega,omega-carotinsaeure, UNII-E8M59E17AI, 9'-cis-6,6'-Diapocaroten-6,6'-disaeure, all-trans-Norbixin, .BETA.-NORBIXIN, ALL-TRANS NORBIXIN, NORBIXIN [MART.], SCHEMBL42367, .BETA.-NORBIXIN [MI], CHEMBL1602127, SCHEMBL23576251, DTXSID20274024, MSK5908, LMPR01070209, 1ST5908, DB15201, 2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, NCGC00091554-01, NS00080280, C08608, Q1997371, (ALL-E)-4,8,13,17-TETRAMETHYL-2,4,6,8,10,12,14,16,18-EICOSANONAENEDIOIC ACID |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Miscellaneous apocarotenoids |
| Deep Smiles | C/C=CC=CC=CC=CC=CC=CC=O)O))))/C)))))/C))))))/C=C/C=C/C=C/C=O)O))))C |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 740.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Diterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H28O4 |
| Inchi Key | ZVKOASAVGLETCT-UOGKPENDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 6,6'-Diapo-6,6'-carotenedioic acid, 6,6'-Diapo-psi,psi-carotenedioic acid, Diapocarotene-6,6'-dioic acid, e160 (Norbixin), Norbixen, 4,8,13,17-Tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioate, norbixin |
| Esol Class | Very soluble |
| Functional Groups | CC(/C=C/C=C(C)/C=C/C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC(=O)O |
| Compound Name | Norbixin |
| Kingdom | Organic compounds |
| Exact Mass | 380.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 380.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 9.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+ |
| Smiles | C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)O)/C)/C)/C=C/C=C(/C=C/C(=O)O)\C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 9.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acyclic diterpenoids |
| Np Classifier Superclass | Apocarotenoids |
- 1. Outgoing r'ship
FOUND_INto/from Bixa Orellana (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/12121828