Enterocarpam I
PubChem CID: 10358940
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| Compound Synonyms | enterocarpam I, 14-hydroxy-6,8,15-trimethoxy-10-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one, 14-hydroxy-6,8,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one, CHEMBL519867, 102719-94-8 |
|---|---|
| Topological Polar Surface Area | 77.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 500.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-hydroxy-6,8,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVCOGBCCWNHWGZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -6.237 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.798 |
| Compound Name | Enterocarpam I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 325.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.095 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 325.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.352350666666667 |
| Inchi | InChI=1S/C18H15NO5/c1-22-11-6-4-5-8-12(11)17(24-3)15-13-9(18(21)19-15)7-10(20)16(23-2)14(8)13/h4-7,20H,1-3H3,(H,19,21) |
| Smiles | COC1=CC=CC2=C1C(=C3C4=C2C(=C(C=C4C(=O)N3)O)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fissistigma Balansae (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Fissistigma Oldhamii (Plant) Rel Props:Source_db:cmaup_ingredients