Molecule

(2S,3aS,8aR)-3a-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]-1H,2H,3H,8H,8aH-pyrrolo[2,3-b]indole-2-carboxylic acid

AlkaPlorer ID: AK319637

Synonym: None

IUPAC Name: None

Structure

SMILES: COC1=CC(/C=C/C[C@@]23C[C@@H](C(=O)O)N[C@@H]2NC2=CC=CC=C23)=CC=C1O

InChI: InChI=1S/C21H22N2O4/c1-27-18-11-13(8-9-17(18)24)5-4-10-21-12-16(19(25)26)23-20(21)22-15-7-3-2-6-14(15)21/h2-9,11,16,20,22-24H,10,12H2,1H3,(H,25,26)/b5-4+/t16-,20-,21-/m0/s1

InChIKey: BJTCLTIDRHFSRO-GKTHTKQVSA-N

Reference

SuperNatural Ⅲ: SN0027480-02

NPASS: NPC280905

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Spongia hispida	Spongia	Spongiidae	Dictyoceratida	Demospongiae	Porifera	Metazoa	Eukaryota
Adlumia fungosa	Adlumia	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Baccharis flabellata	Baccharis	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Juglans regia	Juglans	Juglandaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum lycocarpum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Leptospermum liversidgei	Leptospermum	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gasteria bicolor	Gasteria	Asphodelaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 366.4170000000001

TPSA？: 90.82

MolLogP？: 2.9402000000000013

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi