β-Carbolinetetrahydropentoxyline

AlkaPlorer ID: AK012159

Synonym: None

IUPAC Name: None

Structure

SMILES: OC(C(C(C(CO)O)O)O)C(N1)C(NC2=CC=CC=C32)=C3CC1C(O)=O

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InChI: InChI=1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)

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InChIKey: LCHFAYIGHOVWSA-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Sophora tonkinensis Sophora Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 366.3700000000002

TPSA: 166.26999999999998

MolLogP: -1.7561999999999962

Number of H-Donors: 8

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT025018 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O>>O=C(O)C1Cc2c([nH]c3ccccc23)C(C(O)C(O)C(O)C(O)CO)N1 MNXR103684