Latifolin
PubChem CID: 340211
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| Compound Synonyms | Latifolin, 10154-42-4, (-)-Latifolin, 5-[(1R)-1-(2-hydroxyphenyl)prop-2-enyl]-2,4-dimethoxyphenol, (R)-5,2'-Dihydroxy-2,4-dimethoxydalbergiquinol, 5-((1R)-1-(2-hydroxyphenyl)prop-2-enyl)-2,4-dimethoxyphenol, NSC370336, (-)-(R)-Latifolin, SCHEMBL9418029, CHEMBL2397757, LATIFOLIN (+) - (R), HY-N8380, BDBM50018963, LMPK12100064, AKOS040761974, NSC-370336, CS-0143777, F92738, (R)-5-(1-(2-Hydroxyphenyl)allyl)-2,4-dimethoxyphenol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCCCC2)CC1 |
| Np Classifier Class | Cinnamoyl phenols |
| Deep Smiles | C=C[C@H]cccccc6O)))))))cccO)ccc6OC))))OC |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(CC2CCCCC2)CC1 |
| Classyfire Subclass | Diphenylmethanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a., P56817 |
| Iupac Name | 5-[(1R)-1-(2-hydroxyphenyl)prop-2-enyl]-2,4-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT740 |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H18O4 |
| Scaffold Graph Node Bond Level | c1ccc(Cc2ccccc2)cc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OJVQOGDGFIJYPN-LLVKDONJSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.077 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.224 |
| Synonyms | latifolin |
| Esol Class | Moderately soluble |
| Functional Groups | C=CC, cO, cOC |
| Compound Name | Latifolin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.026484542857142 |
| Inchi | InChI=1S/C17H18O4/c1-4-11(12-7-5-6-8-14(12)18)13-9-15(19)17(21-3)10-16(13)20-2/h4-11,18-19H,1H2,2-3H3/t11-/m1/s1 |
| Smiles | COC1=CC(=C(C=C1[C@H](C=C)C2=CC=CC=C2O)O)OC |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Latifolia (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172360481; ISBN:9788185042053 - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dalbergia Sissoides (Plant) Rel Props:Reference:ISBN:9788185042145 - 4. Outgoing r'ship
FOUND_INto/from Dalbergia Sissoo (Plant) Rel Props:Reference:ISBN:9788172360481 - 5. Outgoing r'ship
FOUND_INto/from Dioscorea Bulbifera (Plant) Rel Props:Source_db:npass_chem_all