Bulbophyllanthrone
PubChem CID: 398641
Connections displayed (default: 10).
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| Compound Synonyms | Bulbophyllanthrone, NSC708791, CHEMBL2003515, NSC-708791, NCI60_038459, 136083-90-4 |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-3,4,7-trimethoxyphenanthrene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SBNXJQQXIIRHIX-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.466 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.387 |
| Compound Name | Bulbophyllanthrone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3438035565217397 |
| Inchi | InChI=1S/C17H14O6/c1-21-8-4-5-9-10(6-8)14(19)15(20)11-7-12(18)16(22-2)17(23-3)13(9)11/h4-7,18H,1-3H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C(=O)C2=O)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Pilosus (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lebeckia Plukenetiana (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Physocarpus Intermedius (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Saraca Asoca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Securigera Securidaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all