9,10-Phenanthrenedione
PubChem CID: 6763
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| Compound Synonyms | 9,10-Phenanthrenequinone, Phenanthrene-9,10-dione, 84-11-7, Phenanthrenequinone, 9,10-PHENANTHRENEDIONE, 9,10-Phenanthraquinone, Phenanthraquinone, 9,10-Phenanthroquinone, 9-10 Phenanthrene quinone, CCRIS 7615, HSDB 4489, Phenanthrene, 9,10-dihydro-9,10-dioxo-, EINECS 201-515-5, MFCD00001163, NSC 10446, UNII-42L7BZ8H74, BRN 0608838, CHEBI:37454, AI3-23739, 42L7BZ8H74, NSC-7389, NSC-10446, phenanthrene-9,10-quinone, SMR000150826, CHEMBL51931, MLS000571180, MLS000881132, PHENANTHRENEQUINONE [MI], DTXSID3058901, 4-07-00-02565 (Beilstein Handbook Reference), 9,10-dihydrophenanthrene-9,10-dione, WLN: L B666 HVVJ, Phenanthrene,10-dihydro-9,10-dioxo-, SR-01000512656, phenanthrenchinon, Phenanthroquinone, Phenanthrene chinone, 9,10Phenanthraquinone, 9,10-phenanthrquinone, 9,10phenanthrenequinone, Opera_ID_1159, 910 Phenanthrene quinone, Phenanthrene-9,10 dione, cid_6763, REGID_for_CID_6763, SCHEMBL43050, DTXCID7048376, BDBM22857, NSC7389, 1,2-Dione-Based Compound, 14, 9,10-Phenanthrenequinone, 95%, HMS2231F24, KUC103886N, NSC10446, 9,10-Phenanthrenequinone, >=99%, CX1139, KSC-1-127, STK793149, Phenanthrene, 9,10dihydro9,10dioxo, AKOS000120609, CS-W015223, FP01747, SB67051, NCGC00246089-01, AS-14257, BP-13416, 9,10-Phenanthrenedione Phenanthrenequinone, DB-005403, NS00014591, P0080, P1136, EN300-17486, C03243, AF-936/31262009, CS-006/03886049, SR-01000512656-1, SR-01000512656-4, Q25103737, Z56943754, 9,10-Phenanthrenequinone, Vetec(TM) reagent grade, 94%, 201-515-5 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C(C)C2CCCCC2C2CCCCC12 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | O=CC=O)cccccc6-cc%10cccc6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | OC1C(O)C2CCCCC2C2CCCCC12 |
| Classyfire Subclass | Phenanthraquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08575, P18031, Q4U254, P00784, P22303, P06276, P23141, O14746, O00748, P0DTD1, n.a. |
| Iupac Name | phenanthrene-9,10-dione |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT287, NPT439, NPT166, NPT144, NPT203 |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H8O2 |
| Scaffold Graph Node Bond Level | O=C1C(=O)c2ccccc2-c2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYVYAPXYZVYDHN-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | 0.229 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.025 |
| Synonyms | phenanthraquinone |
| Esol Class | Soluble |
| Functional Groups | cC(=O)C(c)=O |
| Compound Name | 9,10-Phenanthrenedione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 208.21 |
| 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 |
| Esol | -3.2735392 |
| Inchi | InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H |
| Smiles | C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Bauhinia Variegata (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16308200 - 2. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all