Nicaustrine
AlkaPlorer ID: AK030407
Synonym: '(+)-Nicaustrine'
IUPAC Name: None
Structure
SMILES: CC(=O)O[C@@H]1[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(=O)C3=CC=C[NH+]=C3)[C@]3(C)CC[C@H](OC(=O)C[C@H](C4=CC=CC=C4)N(C)C)[C@@]4(CO4)[C@@H]13)C2(C)C
InChI: InChI=1S/C43H54N2O11/c1-24-32(52-25(2)46)20-30-36(53-26(3)47)38-42(7,39(56-40(50)29-16-13-19-44-22-29)37(54-27(4)48)35(24)41(30,5)6)18-17-33(43(38)23-51-43)55-34(49)21-31(45(8)9)28-14-11-10-12-15-28/h10-16,19,22,30-33,36-39H,17-18,20-21,23H2,1-9H3/p+1/t30-,31+,32-,33-,36+,37+,38-,39-,42+,43-/m0/s1
InChIKey: WECXFEYIUJGNQW-MIDOKUHBSA-O
Reference
NPASS: NPC268109
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Austrotaxus spicata | Austrotaxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
| Nicandra physalodes | Nicandra | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 775.9159999999999
TPSA？: 161.41000000000005
MolLogP？: 4.987500000000004
Number of H-Donors: 0
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|