Lespeflorin H2
PubChem CID: 25227612
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| Compound Synonyms | Lespeflorin H2, CHEBI:66570, 10-methoxy-3,3-dimethyl-3H,7H-furo[3,2-c:5,4-f']dichromen-5-ol, CHEMBL550432, DTXSID301133445, 1108717-80-1, Q27135184, 10-Methoxy-3,3-dimethyl-3H,7H-pyrano[2a(2),3a(2):6,7]benzofuro[3,2-c][1]benzopyran-5-ol, 7-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2(11),5(10),6,8,13,15,19-octaen-20-ol |
|---|---|
| Topological Polar Surface Area | 61.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2(11),5(10),6,8,13,15,19-octaen-20-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C21H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMXXXMGWYLGBLR-UHFFFAOYSA-N |
| Fcsp3 | 0.238095238095238 |
| Logs | -5.163 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.467 |
| Compound Name | Lespeflorin H2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 350.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.937317076923078 |
| Inchi | InChI=1S/C21H18O5/c1-21(2)7-6-13-19-14(9-16(22)20(13)26-21)15-10-24-17-8-11(23-3)4-5-12(17)18(15)25-19/h4-9,22H,10H2,1-3H3 |
| Smiles | CC1(C=CC2=C3C(=CC(=C2O1)O)C4=C(O3)C5=C(C=C(C=C5)OC)OC4)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients