Blestriarene C
PubChem CID: 9982511
Connections displayed (default: 10).
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| Compound Synonyms | Blestriarene C, CIRRHOPETALANTHIN, CHEMBL359501, 120090-81-5, 1-(2,7-dihydroxy-4-methoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol, DTXSID101219520, BDBM50160804, AKOS040763200, 511256-45-4, F94030, 1-(2,7-dihydroxy-4-methoxy-1-phenanthryl)-4-methoxyphenanthrene-2,7-diol, 4,4''''-Dimethoxy-[1,1'''']biphenanthrenyl-2,7,2'''',7''''-tetraol, 4,4a(2)-Dimethoxy[1,1a(2)-biphenanthrene]-2,2a(2),7,7a(2)-tetrol |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 700.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q25270, n.a. |
| Iupac Name | 1-(2,7-dihydroxy-4-methoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.1 |
| Molecular Formula | C30H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CNLFNDMTGHNGIV-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -7.177 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.773 |
| Compound Name | Blestriarene C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 478.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 478.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.638355555555557 |
| Inchi | InChI=1S/C30H22O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h3-14,31-34H,1-2H3 |
| Smiles | COC1=C2C3=C(C=CC2=C(C(=C1)O)C4=C5C=CC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)C=C(C=C3)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Formosana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cremastra Appendiculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Isodon Lungshengensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Prinsepia Utilis (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all