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Secondary metabolite: Aromadendrin
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C15H12O6
SMILES:
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O
InChI:
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1
InChIKey:
PADQINQHPQKXNL-LSDHHAIUSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21
Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12
Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12
Chemical classification
Kingdom:
Organic compounds
Super class:
Phenylpropanoids and polyketides
Class:
Flavonoids
Sub class:
Flavans
Synonymous chemical names:
aromadendrin
External chemical identifiers:
CID_122850
;
CAS_480-20-6
;
CHEMSPIDER_109514
;
ZINC_ZINC000013517387
;
Molport_MolPort-016-638-406
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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