cassiarin C

AlkaPlorer ID: AK045918

Synonym: '(-)-Cassiarin C', 'Cassiarin C'

IUPAC Name: (3S)-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-11-ol

Structure

SMILES: CC1=NC2=C3C(=CC(O)=CC3=C1)O[C@@H](C)C2

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InChI: InChI=1S/C13H13NO2/c1-7-3-9-5-10(15)6-12-13(9)11(14-7)4-8(2)16-12/h3,5-6,8,15H,4H2,1-2H3/t8-/m0/s1

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InChIKey: RDTYCRMZIHUCEV-QMMMGPOBSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Senna siamea Senna Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 215.25199999999995

TPSA: 42.35000000000001

MolLogP: 2.5722200000000006

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information