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Secondary metabolite: 3R,6S,7S,8R,10S)-3,7,14-trihydroxy-1-sterpuren
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C15H24O3
SMILES:
OC[C@@]1(C)C[C@@H]2C(=C(C)[C@@]3([C@@]([C@H]2O)(C)CC3)O)C1
InChI:
InChI=1S/C15H24O3/c1-9-10-6-13(2,8-16)7-11(10)12(17)14(3)4-5-15(9,14)18/h11-12,16-18H,4-8H2,1-3H3/t11-,12+,13-,14+,15+/m1/s1
InChIKey:
FNROUSWTASNQCC-SEBNEYGDSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=C2CCCC2CC2CCC12
Scaffold Graph/Node level:
C1CC2CC3CCC3CC2C1
Scaffold Graph level:
C1CC2CC3CCC3CC2C1
Chemical classification
Kingdom:
Organic compounds
Super class:
Lipids and lipid-like molecules
Class:
Prenol lipids
Sub class:
Sesquiterpenoids
Synonymous chemical names:
3r,6s,7s,8r,10s)-3,7,14-trihydroxy-1-sterpuren
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
TOP
Designed by
R.P. Vivek-Ananth
, M Karthikeyan and Ajaya Kumar Sahoo