Haplodimerine
AlkaPlorer ID: AK044352
Synonym: '', 'Haplodimerine'
IUPAC Name: (1S,2S,14R,15S)-4,8,9-trimethoxy-16,16-dimethyl-13,17-dioxa-11,25-diazaheptacyclo[13.12.0.02,14.03,12.05,10.018,27.019,24]heptacosa-3,5(10),6,8,11,18(27),19,21,23-nonaen-26-one
Structure
SMILES: COC1=CC=C2C(OC)=C3C(=NC2=C1OC)O[C@@H]1[C@H]3[C@@H]2C3=C(O)N=C4C=CC=CC4=C3OC(C)(C)[C@H]12
InChI: InChI=1S/C28H26N2O6/c1-28(2)20-16(18-23(36-28)12-8-6-7-9-14(12)29-26(18)31)17-19-22(33-4)13-10-11-15(32-3)24(34-5)21(13)30-27(19)35-25(17)20/h6-11,16-17,20,25H,1-5H3,(H,29,31)/t16-,17+,20+,25-/m1/s1
InChIKey: ZTSCGHFGGQONGE-XHFAZCCNSA-N
Reference
Haplodimerine — A new type of dimeric quinoline alkaloids
PubChem CID: 442909
CAS: 120931-43-3
LOTUS: LTS0189391
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haplophyllum griffithianum | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 486.5240000000002
TPSA？: 92.16
MolLogP？: 4.943600000000004
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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