Aphelandrine; (+)-form, N6-Hydroxy
AlkaPlorer ID: AK288939
Synonym: N6-Hydroxyaphelandrine
IUPAC Name: 6-hydroxy-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetrazatetracyclo[9.8.6.212,15.014,18]heptacosa-12,14,26-triene-19,24-dione
Structure
SMILES: O=C1C2C3=CC(=CC=C3OC2C2=CC=C(O)C=C2)C2CC(O)=NCCCN1CCCCN(O)CCCN2
InChI: InChI=1S/C28H36N4O5/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)37-27)23-18-25(34)30-12-3-14-31(28(26)35)13-1-2-15-32(36)16-4-11-29-23/h5-10,17,23,26-27,29,33,36H,1-4,11-16,18H2,(H,30,34)
InChIKey: ABSBPZXCQDEGAU-UHFFFAOYSA-N
Reference
Two macrocyclic spermine alkaloids from Aphelandra fuscopunctata (Acanthaceae)
PubChem CID: 162896213
CAS: 259813-07-5
LOTUS: LTS0217906
COCONUT: CNP0163670.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aphelandra | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 508.6190000000005
TPSA？: 117.86
MolLogP？: 3.694200000000001
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|