Coriandrin
PubChem CID: 119586
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Coriandrin, 116408-80-1, 4-methoxy-7-methylfuro[2,3-g]isochromen-5-one, CCRIS 8086, 4-Methoxy-7-methyl-5H-furo(2,3-g)benzopyran-5-one, DTXSID00151389, 4-Methoxy-7-methyl-5H-Furo(2,3-g)(2)benzopyran-5-one, 4-METHOXY-7-METHYL-5H-FURO[2,3-G]ISOCHROMEN-5-ONE, 5H-Furo(2,3-g)(2)benzopyran-5-one, 4-methoxy-7-methyl-, 4-Methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one, 9CI, 4-methoxy-7-methylfuro(2,3-g)isochromen-5-one, 4-methoxy-7-methyl-5H-furo(2,3-g)isochromen-5-one, 4-Methoxy-7-methyl-5H-furo(2,3-g)(2)benzopyran-5-one, 9ci, CARIANDRIN, DTXCID9073880, CHEBI:174178, AKOS040736239, 4-methoxy-7-methyluro[2,3-g]isochromen-5-one, Q1132748 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 48.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CC3CCCC3CC12 |
| Np Classifier Class | Isocoumarins |
| Deep Smiles | COccc=O)occc6ccc%10cco5))))))))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Isocoumarins and derivatives |
| Description | Constituent of Coriandrum sativum (coriander). Coriandrin is found in coriander and herbs and spices. |
| Scaffold Graph Node Level | OC1OCCC2CC3OCCC3CC21 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 362.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-7-methylfuro[2,3-g]isochromen-5-one |
| Class | Isocoumarins and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.7 |
| Superclass | Phenylpropanoids and polyketides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H10O4 |
| Scaffold Graph Node Bond Level | O=c1occc2cc3occc3cc12 |
| Inchi Key | BUZQIMYNOWPYHH-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 4-Methoxy-7-methyl-5H-furo(2,3-g)(2)benzopyran-5-one, 4-Methoxy-7-methyl-5H-furo(2,3-g)benzopyran-5-one, 4-Methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one, 9CI, 5H-Furo(2,3-g)(2)benzopyran-5-one, 4-methoxy-7-methyl-, 4-Methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one, 9ci, Coriandrin, 4-methoxy-7-methyl-5h-furo[2,3-g]benzopyran-5-one (coriandrin), coriandrin |
| Substituent Name | Isocoumarin, 2-benzopyran, Benzopyran, Benzofuran, Anisole, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Heteroaromatic compound, Vinylogous ester, Furan, Lactone, Oxacycle, Organoheterocyclic compound, Monocarboxylic acid or derivatives, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Esol Class | Soluble |
| Functional Groups | c=O, cOC, coc |
| Compound Name | Coriandrin |
| Kingdom | Organic compounds |
| Exact Mass | 230.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 230.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H10O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-6H,1-2H3 |
| Smiles | CC1=CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Isocoumarins and derivatives |
| Np Classifier Superclass | Coumarins |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all