Hwvhwrjpbzqemd-sjcjkpomsa-
PubChem CID: 21676225
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| Compound Synonyms | 10338-03-1, (1R,13R)-9-Methoxy-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14,16(20),21-heptaene, SCHEMBL8820509, HWVHWRJPBZQEMD-SJCJKPOMSA-, InChI=1/C19H14O6/c1-20-19-16-9(2-3-21-16)4-11-17-12(7-22-18(11)19)10-5-14-15(24-8-23-14)6-13(10)25-17/h2-6,12,17H,7-8H2,1H3/t12-,17-/m0/s1 |
|---|---|
| Topological Polar Surface Area | 59.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 528.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,13R)-9-methoxy-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14,16(20),21-heptaene |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C19H14O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HWVHWRJPBZQEMD-SJCJKPOMSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -5.993 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.556 |
| Compound Name | Hwvhwrjpbzqemd-sjcjkpomsa- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 338.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 338.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.419753000000001 |
| Inchi | InChI=1S/C19H14O6/c1-20-19-16-9(2-3-21-16)4-11-17-12(7-22-18(11)19)10-5-14-15(24-8-23-14)6-13(10)25-17/h2-6,12,17H,7-8H2,1H3/t12-,17-/m0/s1 |
| Smiles | COC1=C2C(=CC3=C1OC[C@@H]4[C@H]3OC5=CC6=C(C=C45)OCO6)C=CO2 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psychotria Rostrata (Plant) Rel Props:Source_db:cmaup_ingredients