Naphthoresorcinol
PubChem CID: 8601
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| Compound Synonyms | 1,3-Naphthalenediol, 132-86-5, 1,3-DIHYDROXYNAPHTHALENE, Naphthalene-1,3-diol, Naphthoresorcinol, Naphthoresoucinol, 3-Hydroxybenzocyclohexadien-1-one, MFCD00003965, CCRIS 7896, NSC-115890, Naphthoresorcin, NSC 115890, AI3-08780, EINECS 205-079-7, BRN 2044002, 5X457YEW8Y, NAPHTHORESORCINOL [MI], DTXSID8059631, 4-06-00-06543 (Beilstein Handbook Reference), UNII-5X457YEW8Y, 1,3Naphthalenediol, Naphthalene1,3diol, QPI, 1,3-Naphthalindiol, 1,3dihydroxynaphthalene, Naphthalenediol-(1,3), 2,4-dihydroxynaphthalene, 1,3-dihydroxy-naphthalene, WLN: L66J BQ DQ, SCHEMBL28681, 3Hydroxybenzocyclohexadien1one, CHEMBL381547, LCZC2960, DTXCID8034081, BDBM23449, 1,3-Naphthalenediol (8CI,9CI), HY-D0165, NSC115890, STL416210, AKOS005145943, Naphthalene-1,3-diol, Naphthoresorcine, FD52332, s10388, AC-15068, DS-14529, SY010964, DB-027327, CS-0010073, D0588, NS00009425, 1,3-Dihydroxynaphthalene, >=99%, crystalline, Q27262989, 1,3-Dihydroxynaphthalene, NSC 115890, Naphthoresorcinol, , InChI=1/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12, 1,3-Dihydroxynaphthalene, for spectrophotometric det. of glucuronic acid according to Tollens, >=97.0% |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | Occcccccc6cc%10)O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Classyfire Subclass | Naphthols and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P16083 |
| Iupac Name | naphthalene-1,3-diol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H8O2 |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Inchi Key | XOOMNEFVDUTJPP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,3-dihydroxynaphthalene |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | Naphthoresorcinol |
| Exact Mass | 160.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 160.17 |
| 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/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H |
| Smiles | C1=CC=C2C(=C1)C=C(C=C2O)O |
| 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 Cassia Tora (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lawsonia Inermis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279