Croceaine B
AlkaPlorer ID: AK575822
Synonym: None
IUPAC Name: methyl (1R,4aS,7aS)-7-(9H-pyrido[3,4-b]indol-1-yl)-1-[(2S,3R,4S,5S,6R)-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(C3=NC=CC4=C3NC3=CC=CC=C34)=CC[C@H]12
InChI: InChI=1S/C27H28N2O9/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/h2-5,7-9,11,13,18-19,22-24,26-27,29-33H,6,10H2,1H3/t13-,18-,19+,22-,23+,24-,26-,27+/m1/s1
InChIKey: XWXCUSAYRYQNIN-XTZSUVNTSA-N
Reference
Monoterpenoid indole alkaloids from Palicourea crocea
PubChem CID: 11443853
LOTUS: LTS0034483
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Palicourea crocea | Palicourea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 524.5260000000003
TPSA？: 163.59
MolLogP？: 0.9653000000000004
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|