Isoplagiochin D
PubChem CID: 11732630
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | isoplagiochin D, pentacyclo(20.2.2.110,14.115,19.02,7)octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene-5,13,16,24-tetrol, pentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene-5,13,16,24-tetrol, CHEMBL515207, 159194-80-6 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 610.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene-5,13,16,24-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C28H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVVCUSDMHMVYJD-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.392 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.206 |
| Compound Name | Isoplagiochin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 424.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.9706752000000005 |
| Inchi | InChI=1S/C28H24O4/c29-21-8-10-22-20(16-21)7-3-18-6-12-27(31)25(14-18)24-13-17(5-11-26(24)30)1-2-19-4-9-23(22)28(32)15-19/h4-6,8-16,29-32H,1-3,7H2 |
| Smiles | C1CC2=CC(=C(C=C2)C3=C(CCC4=CC(=C(C=C4)O)C5=C(C=CC1=C5)O)C=C(C=C3)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Philippinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lepidozia Incurvata (Plant) Rel Props:Source_db:cmaup_ingredients