Geraldol
PubChem CID: 5482101
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| Compound Synonyms | Geraldol, 21511-25-1, 3'-Methoxy-3,7,4'-trihydroxyflavone, 3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one, 2KR35TI2XV, UNII-2KR35TI2XV, 3,7,4'-Trihydroxy-3'-methoxyflavone, DTXSID30175851, 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, EINECS 244-414-1, 3,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one, 3,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE, geraldo l, MFCD00017311, Geraldol (13), SCHEMBL620712, SPECTRUM1505149, CHEMBL509256, DTXCID0098342, BDBM153269, LMPK12111568, 3,4',7-trihydroxy-3'-methoxyflavone, AKOS040761779, CCG-208646, FM65752, NCGC00096044-01, FS-10674, DB-045605, CS-0148996, NS00026890, 3,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone, 3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one, 244-414-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | COcccccc6O))))cocccO)ccc6c=O)c%10O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 473.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12O6 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | WRFQRUBJBPLPAM-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | geraldol |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | Geraldol |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| 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/C16H12O6/c1-21-13-6-8(2-5-11(13)18)16-15(20)14(19)10-4-3-9(17)7-12(10)22-16/h2-7,17-18,20H,1H3 |
| Smiles | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Lotus Corniculatus (Plant) Rel Props:Reference:ISBN:9788185042084