9-Hydroxy-3-(hydroxymethyl)furo[3,2-b]naphtho[2,3-d]furan-5,10-dione
PubChem CID: 641262
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| Compound Synonyms | 9-hydroxy-3-(hydroxymethyl)furo[3,2-b]naphtho[2,3-d]furan-5,10-dione, 9-hydroxy-3-hydroxymethylfuro[3,2-b]naphtho[2,3-d]furan-5,10-dione, furo[3,2-b]naphtho[2,3-d]furan-5,10-dione, 9-hydroxy-3-(hydroxymethyl)-, InChI=1/C15H8O6/c16-4-6-5-20-15-10-12(19)9-7(2-1-3-8(9)17)11(18)14(10)21-13(6)15/h1-3,5,16-17H,4H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2C3CCCC3CC12 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | OCccocc5occ5C=O)ccC6=O))cccc6O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Naphthofurans |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2C3OCCC3OC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-14-(hydroxymethyl)-12,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11(15),13-hexaene-2,9-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H8O6 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2c1oc1ccoc21 |
| Inchi Key | ZPHYXTATIAWVPS-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 9-hydroxy-3-hydroxymethylfuro[3,2-b]naphtho[2,3-d]-furan-5,10-dione |
| Esol Class | Soluble |
| Functional Groups | CO, cC(c)=O, cO, coc |
| Compound Name | 9-Hydroxy-3-(hydroxymethyl)furo[3,2-b]naphtho[2,3-d]furan-5,10-dione |
| Exact Mass | 284.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 284.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H8O6/c16-4-6-5-20-15-10-12(19)9-7(2-1-3-8(9)17)11(18)14(10)21-13(6)15/h1-3,5,16-17H,4H2 |
| Smiles | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)OC4=C3OC=C4CO |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Crescentia Cujete (Plant) Rel Props:Reference:ISBN:9788185042145