Ipobscurine C
AlkaPlorer ID: AK319687
Synonym: None
IUPAC Name: (3S,4S,15Z)-4,8-dihydroxy-3-(hydroxymethyl)-7-methoxy-2,10-dioxa-18,23-diazapentacyclo[19.5.2.211,14.15,9.024,28]hentriaconta-1(27),5(31),6,8,11,13,15,21,24(28),25,29-undecaen-17-one
Structure
SMILES: COC1=CC2=CC(=C1O)OC1=CC=C(/C=C\C(O)=NCCC3=CNC4=CC=C(C=C34)O[C@@H](CO)[C@H]2O)C=C1
InChI: InChI=1S/C29H28N2O7/c1-36-24-12-19-13-25(29(24)35)37-20-5-2-17(3-6-20)4-9-27(33)30-11-10-18-15-31-23-8-7-21(14-22(18)23)38-26(16-32)28(19)34/h2-9,12-15,26,28,31-32,34-35H,10-11,16H2,1H3,(H,30,33)/b9-4-/t26-,28-/m0/s1
InChIKey: RYKHLLTYMPMIRA-WVNGDECYSA-N
Reference
Ipobscurines C and D: macrolactam-type indole alkaloids from the seeds of Ipomoea obscura
PubChem CID: 101243385
LOTUS: LTS0253253
NPASS: NPC286203
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ipomoea obscura | Ipomoea | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 516.5500000000003
TPSA？: 136.76
MolLogP？: 4.673500000000004
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|