Actinodaphnine
AlkaPlorer ID: AK014092
Synonym: None
IUPAC Name: (12S)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol
Structure
SMILES: COC1=CC2=C(C=C1O)C[C@@H]1NCCC3=CC4=C(OCO4)C2=C31
InChI: InChI=1S/C18H17NO4/c1-21-14-7-11-10(5-13(14)20)4-12-16-9(2-3-19-12)6-15-18(17(11)16)23-8-22-15/h5-7,12,19-20H,2-4,8H2,1H3/t12-/m0/s1
InChIKey: VYJUHRAQPIBWNV-LBPRGKRZSA-N
Reference
Thaliporphinemethine: A New Phenanthrene Alkaloid from Illigera pentaphylla
PubChem CID: 160502
CAS: 517-69-1
LOTUS: LTS0259835
SuperNatural Ⅲ: SN0403403-02
NPASS: NPC155442
Source
Properties Information
Molecule Weight: 311.3370000000001
TPSA？: 59.95
MolLogP？: 2.5394000000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 107000.0 | nM | 10.1021/np970382v |
| Chlorocebus sabaeus | Vero | MTC | 95.0 | uM | 10.1021/np970382v |
| Poliovirus 2 | Poliovirus 2 | Activity | nan | None | 10.1021/np970382v |
| Rattus norvegicus | Aorta | Activity | 15.5 | % | 10.1021/np9700735 |
| Rattus norvegicus | Aorta | Activity | 40.6 | % | 10.1021/np9700735 |
| Rattus norvegicus | Aorta | Activity | 41.9 | % | 10.1021/np9700735 |
| Rattus norvegicus | Aorta | Activity | nan | None | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 0.0 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 42.7 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 60.5 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 80.3 | % | 10.1021/np9700735 |
| None | Platelet | Activity | 0.0 | % | 10.1021/np970348g |
| None | Platelet | Activity | nan | None | 10.1021/np970348g |