4-Hydroxycephalotaxine
PubChem CID: 158670
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Hydroxycephalotaxine, 84567-08-8, 4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraene-2,3-diol, Cephalotaxine, 4-hydroxy-, DTXSID701004850, JDA56708, AKOS032948170, 4-METHOXY-16,18-DIOXA-10-AZAPENTACYCLO[11.7.0.0(2),?.0?,(1)?.0(1)?,(1)?]ICOSA-1(20),4,13,15(19)-TETRAENE-2,3-DIOL, 4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0^{2,6.0^{6,10.0^{15,19]icosa-1(20),4,13,15(19)-tetraene-2,3-diol |
|---|---|
| Topological Polar Surface Area | 71.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 568.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraene-2,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C18H21NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MVSKPPYUIBULOR-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -3.054 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.774 |
| Compound Name | 4-Hydroxycephalotaxine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 331.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 331.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 331.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2591816000000007 |
| Inchi | InChI=1S/C18H21NO5/c1-22-15-9-17-4-2-5-19(17)6-3-11-7-13-14(24-10-23-13)8-12(11)18(17,21)16(15)20/h7-9,16,20-21H,2-6,10H2,1H3 |
| Smiles | COC1=CC23CCCN2CCC4=CC5=C(C=C4C3(C1O)O)OCO5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all