Balanocarpol
PubChem CID: 478626
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| Compound Synonyms | Balanocarpol, (-)-Balanocarpol, 99646-13-6, Beno(6,7)cycloheptal(1,2,3-cd)benzofuran-4,6,8,10-tetrol, 1,6,7,11b-tetrahydro-1,7-bis(4-hydroxyphenyl)-, (1R,6S,7S,11bR)-rel-(-), (1R,8S,9S,16R)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo(8.6.1.02,7.014,17)heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol, (1R,8S,9S,16R)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol, Beno[6,7]cycloheptal[1,2,3-cd]benzofuran-4,6,8,10-tetrol, 1,6,7,11b-tetrahydro-1,7-bis(4-hydroxyphenyl)-, (1R,6S,7S,11bR)-rel-(-), CHEMBL479711, DTXSID50912568, BDBM50362653, NSC704112, NSC-704112, 1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro-2-oxadibenzo[cd,h]azulene-4,6,8,10-tetrol |
|---|---|
| Topological Polar Surface Area | 131.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 733.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,8S,9S,16R)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | 3.8 |
| Molecular Formula | C28H22O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHUHHURKGTUZHU-QZQBRAAYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.315 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.244 |
| Compound Name | Balanocarpol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 470.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 470.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 470.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.507485971428572 |
| Inchi | InChI=1S/C28H22O7/c29-15-5-1-13(2-6-15)23-24-19(9-17(31)11-21(24)33)26-25-20(27(23)34)10-18(32)12-22(25)35-28(26)14-3-7-16(30)8-4-14/h1-12,23,26-34H/t23-,26+,27+,28-/m0/s1 |
| Smiles | C1=CC(=CC=C1[C@@H]2[C@@H](C3=C4[C@H]([C@@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hopea Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients