(4Z)-2-hydroxy-4-[(7R)-7-(2-hydroxy-4-methoxyphenyl)-4-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-2-ylidene]-5-methoxycyclohexa-2,5-dien-1-one
PubChem CID: 641800
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| Compound Synonyms | C32H26O7 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1060.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4Z)-2-hydroxy-4-[(7R)-7-(2-hydroxy-4-methoxyphenyl)-4-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-2-ylidene]-5-methoxycyclohexa-2,5-dien-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C32H26O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KVROCRIOSIBEDH-HNOWIDAKSA-N |
| Fcsp3 | 0.15625 |
| Logs | -5.192 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.756 |
| Compound Name | (4Z)-2-hydroxy-4-[(7R)-7-(2-hydroxy-4-methoxyphenyl)-4-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-2-ylidene]-5-methoxycyclohexa-2,5-dien-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 522.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 522.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 522.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.294767061538463 |
| Inchi | InChI=1S/C32H26O7/c1-36-21-8-9-22(26(33)12-21)20-10-19-11-24-23(18-6-4-3-5-7-18)14-31(39-32(24)16-29(19)38-17-20)25-13-27(34)28(35)15-30(25)37-2/h3-9,11-16,20,33-34H,10,17H2,1-2H3/b31-25-/t20-/m0/s1 |
| Smiles | COC1=CC(=C(C=C1)[C@H]2CC3=CC4=C(C=C3OC2)O/C(=C\5/C=C(C(=O)C=C5OC)O)/C=C4C6=CC=CC=C6)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Congestiflora (Plant) Rel Props:Source_db:cmaup_ingredients