OSADHI - Online Structural and Analytics based Database for Herbs of India

  • Home
  • About
  • Features
  • Search
    • Name
    • Therapeutics
    • Family
    • Phytochemicals
    • Natural Product Classes
  • Team
  • Contact

List of plants having phytochemicals: 4-(Methylthio)butyl thiocyanate



Sl. No Plant Name
1Eruca vesicaria

Details of 4-(Methylthio)butyl thiocyanate




General Information
IUPAC (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical Smiles CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C
Inchi YIYRCZFIJNGYOG-QINBLQPGSA-N
PubChem ID 86289140
Smiles COc1cc2oc(=O)ccc2cc1C=CC(C)(C)O
2D Structure
3D Structure
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc2oc%28%3DO%29ccc2cc1C%3DCC%28C%29%28C%29O/file?format=sdf&get3d=True -- COc1cc2oc%28%3DO%29ccc2cc1C%3DCC%28C%29%28C%29O could not be loaded.
Classification
Class Dammarane and Protostane triterpenoids
Super Class Triterpenoids
Pathways Terpenoids
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

Our Other Tools

  • Molecular Property Diagnostic Suite (MPDS)
  • North East India Medicinal Plant Database (NEI-MPDB)
  • Aromatic–Aromatic Interactions Database (A2ID)
  • Cation Aromatic Database (CAD)

Useful Links

  • CSIR-NEIST
  • CSIR
  • More Links

© Copyrights CSIR-NEIST. All rights reserved.