Croceaine A
AlkaPlorer ID: AK122221
Synonym: '', 'croceaine A', 'Psychollatine'
IUPAC Name: methyl (1R,4aS,7aS)-7-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Structure
SMILES: COC(=O)C1=CO[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C([C@H]3NCCC4=C3NC3=CC=CC=C43)=CC[C@H]12
InChI: InChI=1S/C27H32N2O9/c1-35-25(34)16-11-36-26(38-27-24(33)23(32)22(31)18(10-30)37-27)19-13(16)6-7-15(19)20-21-14(8-9-28-20)12-4-2-3-5-17(12)29-21/h2-5,7,11,13,18-20,22-24,26-33H,6,8-10H2,1H3/t13-,18+,19+,20-,22-,23-,24+,26-,27+/m1/s1
InChIKey: CNDZNSRMCKQXEC-YVFXWPNPSA-N
Reference
Monoterpene Indole Alkaloids from <i>Palicourea </i><i>c</i><i>rocea</i>
PubChem CID: 162849202
LOTUS: LTS0147448
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Palicourea crocea | Palicourea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 528.5580000000002
TPSA？: 162.73000000000002
MolLogP？: 0.1469000000000009
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|