Paucinervin C
PubChem CID: 52943692
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| Compound Synonyms | Paucinervin C, 9,9-dimethyl-3,8,20-trioxapentacyclo(11.7.0.02,6.07,12.014,19)icosa-1(13),2(6),4,7(12),10,14(19),15,17-octaen-18-ol, 9,9-dimethyl-3,8,20-trioxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),4,7(12),10,14(19),15,17-octaen-18-ol, CHEMBL1254022 |
|---|---|
| Topological Polar Surface Area | 55.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 515.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,9-dimethyl-3,8,20-trioxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),4,7(12),10,14(19),15,17-octaen-18-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C19H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZSMMKJRUHRQXAJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.77 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.276 |
| Compound Name | Paucinervin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 306.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1708480086956525 |
| Inchi | InChI=1S/C19H14O4/c1-19(2)8-6-11-14-10-4-3-5-13(20)16(10)22-18(14)17-12(7-9-21-17)15(11)23-19/h3-9,20H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C3=C(C4=C2C5=C(O4)C(=CC=C5)O)OC=C3)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Paucinervis (Plant) Rel Props:Source_db:cmaup_ingredients