Structure Database (LMSD)
Common Name
Adriamycin
Systematic Name
Synonyms
3D model of Adriamycin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
AOJJSUZBOXZQNB-TZSSRYMLSA-N
InChi (Click to copy)
InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
SMILES (Click to copy)
C12C[C@@](C[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](N)C3)C)C1=C(O)C1=C(C(=O)C3=C(C(OC)=CC=C3)C1=O)C=2O)(O)C(=O)CO
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
5
Aromatic Rings
2
Rotatable Bonds
5
Van der Waals Molecular Volume
475.99
Topological Polar Surface Area
208.14
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
11
logP
1.72
Molar Refractivity
134.80
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Created at
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Updated at
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