9-Methoxy-14-methyl-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one
PubChem CID: 435559
Connections displayed (default: 10).
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| Compound Synonyms | NSC372201, NSC-372201, 2H,3-a:2',3',4'-kl]xanthen-9-one, 3,4-dihydro-5-methoxy-8-methyl-2,12-diphenyl-, (-)- |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1070.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-14-methyl-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C32H24O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FWKBXSPDFCAHFN-UHFFFAOYSA-N |
| Fcsp3 | 0.15625 |
| Logs | -8.248 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.285 |
| Compound Name | 9-Methoxy-14-methyl-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 488.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 488.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 488.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.605941800000002 |
| Inchi | InChI=1S/C32H24O5/c1-18-23(33)16-27-29-22(15-25(35-27)20-11-7-4-8-12-20)30-28(37-31(18)29)17-26(34-2)21-13-14-24(36-32(21)30)19-9-5-3-6-10-19/h3-12,15-17,24H,13-14H2,1-2H3 |
| Smiles | CC1=C2C3=C(C=C(OC3=CC1=O)C4=CC=CC=C4)C5=C6C(=C(C=C5O2)OC)CCC(O6)C7=CC=CC=C7 |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Roxbugiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dracaena Draco (Plant) Rel Props:Source_db:cmaup_ingredients