9beta-hydroxyvertine
AlkaPlorer ID: AK170830
Synonym: None
IUPAC Name: (1S,13Z,17R,19S,20R)-9,20-dihydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@@H]1C[C@H](C[C@H]3[C@H](O)CCCN13)OC(=O)/C=C\C1=CC=C(O)C2=C1
InChI: InChI=1S/C26H29NO6/c1-31-24-13-17-18(14-25(24)32-2)20-11-16(12-21-23(29)4-3-9-27(20)21)33-26(30)8-6-15-5-7-22(28)19(17)10-15/h5-8,10,13-14,16,20-21,23,28-29H,3-4,9,11-12H2,1-2H3/b8-6-/t16-,20+,21+,23-/m1/s1
InChIKey: VWCBHUSUACQSIV-GATZCXJOSA-N
Reference
Alkaloids from Heimia salicifolia
PubChem CID: 101863379
LOTUS: LTS0214353
SuperNatural Ⅲ: SN0401680-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Heimia salicifolia | Heimia | Lythraceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 451.5190000000002
TPSA？: 88.46
MolLogP？: 3.675200000000003
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|