Cryogenine
AlkaPlorer ID: AK032603
Synonym: 'Vertine', "Lythran-12-one, 4'',5''-dimethoxy-2'-hydroxy-, (10-alpha)-", 'Cryogenine'
IUPAC Name: (1S,13Z,17R,18R)-9-hydroxy-4,5-dimethoxy-16-oxa-23-azapentacyclo[15.7.1.18,12.02,7.018,23]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@@H]1C[C@@H](OC(=O)/C=C\C3=CC=C(O)C2=C3)[C@H]2CCCCN2C1
InChI: InChI=1S/C26H29NO5/c1-30-24-13-18-17-12-23(21-5-3-4-10-27(21)15-17)32-26(29)9-7-16-6-8-22(28)20(11-16)19(18)14-25(24)31-2/h6-9,11,13-14,17,21,23,28H,3-5,10,12,15H2,1-2H3/b9-7-/t17-,21-,23-/m1/s1
InChIKey: UBSAECZDGDZVCX-CZRXUGQMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Decodon verticillatus | Decodon | Lythraceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Heimia myrtifolia | Heimia | Lythraceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Rauvolfia verticillata | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 435.52000000000027
TPSA？: 68.23
MolLogP？: 4.356800000000003
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|