Xanthydrol
PubChem CID: 72861
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| Compound Synonyms | 9-Hydroxyxanthene, Xanthydrol, 9H-Xanthen-9-ol, 90-46-0, Xanthen-9-ol, 9-Xanthydrol, Xanthanol, Xanthene, hydroxy-, 9-Xanthenol, CCRIS 1640, NSC 4038, EINECS 201-996-1, MFCD00005057, BRN 0010395, AI3-01536, 7131M69IKF, NSC-4038, CHEMBL5204890, DTXSID8059009, 5-17-04-00502 (Beilstein Handbook Reference), Xanthrol, 9Xanthydrol, 9Hydroxyxanthene, Xanthen9ol, 9HXanthen9ol, Xanthene, hydroxy, Xanthydrol, 98%, 9-Xanthenol, Xanthydrol, Oprea1_119099, SCHEMBL521775, UNII-7131M69IKF, DTXCID9048691, NSC4038, WLN: T C666 BO IHJ IQ, BDBM50599588, STL283997, AKOS000120607, CS-W015654, FH11917, AS-35115, NS00008884, X0055, EN300-19235, WLN: T C666 BO IVJ EG D1- AT6N DOTJ, A843556, Q4021716, Xanthydrol, for the detection of urea, >=99.0% (HPLC), 201-996-1, InChI=1/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CC3CCCCC3CC2C1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | OCcccccc6Occ%10cccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | C1CCC2OC3CCCCC3CC2C1 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9H-xanthen-9-ol |
| Class | Benzopyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.9 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H10O2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)Cc1ccccc1O2 |
| Inchi Key | JFRMYMMIJXLMBB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | Xanthen-9-ol, Xanthydrol, 9-hydroxyxanthene, xanthanol |
| Esol Class | Soluble |
| Functional Groups | CO, cOc |
| Compound Name | Xanthydrol |
| Kingdom | Organic compounds |
| Exact Mass | 198.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H |
| Smiles | C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Xanthenes |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Xanthium Spinosum (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Reference:ISBN:9788172361792; ISBN:9788185042053