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Secondary metabolite: Hericenone A
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C19H22O5
SMILES:
COc1cc2C(=O)OCc2c(c1C/C=C(/CC(=O)C=C(C)C)C)O
InChI:
InChI=1S/C19H22O5/c1-11(2)7-13(20)8-12(3)5-6-14-17(23-4)9-15-16(18(14)21)10-24-19(15)22/h5,7,9,21H,6,8,10H2,1-4H3/b12-5+
InChIKey:
IDSCVDJWBRGNKG-LFYBBSHMSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1OCc2ccccc21
Scaffold Graph/Node level:
OC1OCC2CCCCC21
Scaffold Graph level:
CC1CCC2CCCCC12
Chemical classification
Kingdom:
Organic compounds
Super class:
Lipids and lipid-like molecules
Class:
Prenol lipids
Sub class:
Terpene lactones
Synonymous chemical names:
hericenone a
External chemical identifiers:
CID_11782478
;
CAS_126654-52-2
;
NPATLAS_NPA010476
;
CHEMSPIDER_9957159
;
ZINC_ZINC000015273798
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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