Neocaryachine
AlkaPlorer ID: AK063071
Synonym: ''
IUPAC Name: (1S,12S)-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-14-ol
Structure
SMILES: COC1=CC=C2C[C@H]3C4=C(C=C5OCOC5=C4)C[C@@H](C2=C1O)N3C
InChI: InChI=1S/C19H19NO4/c1-20-13-5-10-3-4-15(22-2)19(21)18(10)14(20)6-11-7-16-17(8-12(11)13)24-9-23-16/h3-4,7-8,13-14,21H,5-6,9H2,1-2H3/t13-,14-/m0/s1
InChIKey: TWCBVLWZBWYIRW-KBPBESRZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cryptocarya laevigata | Cryptocarya | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cryptocarya chinensis | Cryptocarya | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.36400000000003
TPSA？: 51.16
MolLogP？: 2.955900000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 64.0 | nM | 10.1021/acs.jnatprod.6b01153 |
| Homo sapiens | KB | IC50 | 228.0 | nM | 10.1021/acs.jnatprod.6b01153 |
| Homo sapiens | MCF7 | IC50 | 413.0 | nM | 10.1021/acs.jnatprod.6b01153 |
| Homo sapiens | MDA-MB-231 | IC50 | 264.0 | nM | 10.1021/acs.jnatprod.6b01153 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.6b01153 |
| None | Unchecked | IC50 | 241.0 | nM | 10.1021/acs.jnatprod.6b01153 |