2-(5,6-Dihydroxy-5,6-dihydro-cyclopenta[c]furan-4-yl)acetic acid
PubChem CID: 25263064
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| Compound Synonyms | 2-(5,6-Dihydroxy-5,6-dihydro-cyclopenta[c]furan-4-yl)acetic acid |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 90.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CC2CCCC2C1 |
| Np Classifier Class | Iridoids monoterpenoids |
| Deep Smiles | OC=O)CCccocc5CC8O))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Heteroaromatic compounds |
| Scaffold Graph Node Level | C1CC2COCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 241.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4,5-dihydroxy-5,6-dihydro-4H-cyclopenta[c]furan-6-yl)acetic acid |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O5 |
| Scaffold Graph Node Bond Level | c1occ2c1CCC2 |
| Inchi Key | DTHUVZQMVMVXNB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | piscrocin b |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, CO, coc |
| Compound Name | 2-(5,6-Dihydroxy-5,6-dihydro-cyclopenta[c]furan-4-yl)acetic acid |
| Exact Mass | 198.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 198.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H10O5/c10-7(11)1-4-5-2-14-3-6(5)9(13)8(4)12/h2-4,8-9,12-13H,1H2,(H,10,11) |
| Smiles | C1=C2C(C(C(C2=CO1)O)O)CC(=O)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Picrorhiza Kurroa (Plant) Rel Props:Reference:ISBN:9788171360536