Coeloginin
PubChem CID: 14427337
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| Compound Synonyms | Coeloginin, AT7CHG83PJ, 82358-34-7, UNII-AT7CHG83PJ, 9,10-Dihydro-2,6-dihydroxy-7,8-dimethoxy-5H-phenanthro(4,5-bcd)pyran-5-one, 9,10-Dihydro-2,6-dihydroxy-7,8-dimethoxy-5H-phenanthro[4,5-bcd]pyran-5-one, 5H-Phenanthro(4,5-bcd)pyran-5-one, 9,10-dihydro-2,6-dihydroxy-7,8-dimethoxy-, 5H-Phenanthro[4,5-bcd]pyran-5-one, 9,10-dihydro-2,6-dihydroxy-7,8-dimethoxy-, DTXSID401031836 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC2CCCC3CCC4CCCC1C4C32 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | COccOC))cO)ccc6CCcc6coc%10=O)))ccc6)O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | OC1OC2CCCC3CCC4CCCC1C4C32 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 482.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,13-dihydroxy-6,7-dimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-3-one |
| Nih Violation | False |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.1 |
| Is Pains | False |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H14O6 |
| Scaffold Graph Node Bond Level | O=c1oc2cccc3c2c2c(cccc12)CC3 |
| Inchi Key | PHSQBKCKZRQIDM-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | coeloginin |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | Coeloginin |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| 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/C17H14O6/c1-21-15-9-4-3-7-5-8(18)6-10-11(7)12(9)13(17(20)23-10)14(19)16(15)22-2/h5-6,18-19H,3-4H2,1-2H3 |
| Smiles | COC1=C(C(=C2C3=C1CCC4=C3C(=CC(=C4)O)OC2=O)O)OC |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Coelogyne Cristata (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362133; ISBN:9788185042114; ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Coelogyne Nitida (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362133; ISBN:9788185042145 - 3. Outgoing r'ship
FOUND_INto/from Coelogyne Ovalis (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042145