protostemonine
AlkaPlorer ID: AK053414
Synonym: '', 'Isoprotostemonine', 'Protostemonine'
IUPAC Name: None
Structure
SMILES: COC1=C(C)C(=O)O/C1=C1/O[C@@H]2CCC[NH+]3[C@@H](CC[C@H]3[C@@H]3C[C@H](C)C(=O)O3)[C@H]2[C@@H]1C
InChI: InChI=1S/C23H31NO6/c1-11-10-17(29-22(11)25)14-7-8-15-18-12(2)20(28-16(18)6-5-9-24(14)15)21-19(27-4)13(3)23(26)30-21/h11-12,14-18H,5-10H2,1-4H3/p+1/b21-20+/t11-,12-,14-,15-,16+,17-,18+/m0/s1
InChIKey: JDGNFRYDHRYXNL-BBDFNLGKSA-O
Source
Properties Information
Molecule Weight: 418.51000000000016
TPSA?: 75.50000000000001
MolLogP?: 1.4876000000000007
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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