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Secondary metabolite: Coprinol
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C15H22O2
SMILES:
OCCc1c(C)c2CC(Cc2c(c1C)O)(C)C
InChI:
InChI=1S/C15H22O2/c1-9-11(5-6-16)10(2)14(17)13-8-15(3,4)7-12(9)13/h16-17H,5-8H2,1-4H3
InChIKey:
GCMUHPCLXBXQDH-UHFFFAOYSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC2
Scaffold Graph/Node level:
C1CCC2CCCC2C1
Scaffold Graph level:
C1CCC2CCCC2C1
Chemical classification
Kingdom:
Organic compounds
Super class:
Benzenoids
Class:
Indanes
Synonymous chemical names:
coprinol
External chemical identifiers:
CID_42608175
;
CAS_1197922-03-4
;
NPATLAS_NPA013949
;
CHEMSPIDER_24680015
;
ZINC_ZINC000049145678
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