(1S)-8-hydroxy-6-oxa-15,20,24,27-tetraazatetracyclo[13.9.6.2²,⁵.1⁷,¹¹]tritriaconta-2,4,7,9,11(31),12,32-heptaene-14,26-dione
AlkaPlorer ID: AK563289
Synonym: None
IUPAC Name: (1S,12Z)-8-hydroxy-6-oxa-15,20,24,27-tetrazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2(33),3,5(32),7,9,11(31),12-heptaene-14,26-dione
Structure
SMILES: O=C1/C=C\C2=CC(=C(O)C=C2)OC2=CC=C(C=C2)[C@@H]2CC(O)=NCCCN1CCCCNCCCN2
InChI: InChI=1S/C28H36N4O4/c33-25-11-5-21-6-12-28(35)32-17-2-1-13-29-14-3-15-30-24(20-27(34)31-16-4-18-32)22-7-9-23(10-8-22)36-26(25)19-21/h5-12,19,24,29-30,33H,1-4,13-18,20H2,(H,31,34)/b12-6-/t24-/m0/s1
InChIKey: WTPFXNXOCATDNF-XWBWXGSQSA-N
Reference
The Spermine Alkaloids of<i>Chaenorhinum minus</i>
PubChem CID: 101153848
LOTUS: LTS0128921
SuperNatural Ⅲ: SN0419682-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaenorhinum minus | Chaenorhinum | Plantaginaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 492.6200000000005
TPSA？: 106.42
MolLogP？: 4.180800000000003
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|