NP-MRD: Showing NP-Card for Doxorubicin (NP0083968)

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Record Information

Version

2.0

Created at

2022-04-29 04:50:59 UTC

Updated at

2022-04-29 04:50:59 UTC

NP-MRD ID

NP0083968

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Doxorubicin

Description

Doxorubicin, also known as adriamycin or adriblastina, belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. Thus, doxorubicin is considered to be an aromatic polyketide lipid molecule. Doxorubicin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Doxorubicin exists in all living organisms, ranging from bacteria to humans. Within humans, doxorubicin participates in a number of enzymatic reactions. In particular, doxorubicin can be converted into doxorubicinol deoxaglycone through the action of the enzymes nad(p)H dehydrogenase [quinone] 1, nadph--cytochrome P450 reductase, and xanthine dehydrogenase/oxidase. In addition, doxorubicin can be converted into doxorubicinol; which is mediated by the enzymes carbonyl reductase [nadph] 1, carbonyl reductase [nadph] 3, aldo-keto reductase family 1 member C3, and alcohol dehydrogenase [nadp(+)]. In humans, doxorubicin is involved in doxorubicin metabolism pathway. Doxorubicin is formally rated as a probable carcinogen (by IARC 2A) and is also a potentially toxic compound. Doxorubicin is found in Dracocephalum kotschyi, Ixora coccinea, Streptomyces galilaeus, Streptomyces peucetius, Streptomyces venezuelae and Xylopia laevigata. Doxorubicin was first documented in 1969 (PMID: 5365804). People often experience red discoloration of the urine for a few days (PMID: 1462166) (PMID: 2555273) (PMID: 5772652).

Structure

MOL 3D MOL SDF PDB SMILES InChI

997
  Mrv0541 02231215102D          

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M  END

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997
  Mrv0541 02231215102D          

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  7 25  2  0  0  0  0
  8 30  1  0  0  0  0
  9 31  2  0  0  0  0
 10 32  2  0  0  0  0
 11 35  1  0  0  0  0
 11 39  1  0  0  0  0
 21 12  1  1  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 17 24  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 29  1  1  0  0  0
 24 27  2  0  0  0  0
 25 30  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0083968

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O

> <INCHI_IDENTIFIER>
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

> <INCHI_KEY>
AOJJSUZBOXZQNB-TZSSRYMLSA-N

> <FORMULA>
C27H29NO11

> <MOLECULAR_WEIGHT>
543.5193

> <EXACT_MASS>
543.174060775

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
53.86646962582129

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

> <ALOGPS_LOGP>
1.41

> <JCHEM_LOGP>
0.9164216415385819

> <ALOGPS_LOGS>
-2.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
11.02035317339782

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.530879900606058

> <JCHEM_PKA_STRONGEST_BASIC>
8.935690197370455

> <JCHEM_POLAR_SURFACE_AREA>
206.07

> <JCHEM_REFRACTIVITY>
134.59369999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.18e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
doxorubicin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 997                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       9.211   0.777   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       6.544   0.807   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       7.033  -4.495   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.912   3.918   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      11.904   0.723   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      11.904  -5.437   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       5.483  -1.834   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       3.953  -4.507   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      14.596   0.777   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      14.596  -5.490   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      17.426   0.843   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       6.597   5.427   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       9.193  -0.763   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.798  -3.159   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.798  -1.555   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.193  -3.950   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.570  -1.587   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.570  -3.127   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.886   1.562   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.904   3.102   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.579   3.887   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.237   3.133   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.219   1.593   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.904  -0.817   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.258  -3.165   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.904  -3.897   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.237  -1.587   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.237  -3.127   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.877   0.838   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.493  -4.501   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.614  -0.763   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      14.614  -3.950   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      16.009  -1.555   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      16.009  -3.159   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      17.443  -0.697   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      17.443  -4.016   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      18.897  -1.521   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      18.897  -3.192   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      18.750   1.628   0.000  0.00  0.00           C+0
CONECT    1   13   19                                                       
CONECT    2   19   23                                                       
CONECT    3   14                                                            
CONECT    4   22                                                            
CONECT    5   24                                                            
CONECT    6   26                                                            
CONECT    7   25                                                            
CONECT    8   30                                                            
CONECT    9   31                                                            
CONECT   10   32                                                            
CONECT   11   35   39                                                       
CONECT   12   21                                                            
CONECT   13    1   15   17                                                  
CONECT   14    3   15   16   25                                             
CONECT   15   13   14                                                       
CONECT   16   14   18                                                       
CONECT   17   13   18   24                                                  
CONECT   18   16   17   26                                                  
CONECT   19    1    2   20                                                  
CONECT   20   19   21                                                       
CONECT   21   12   20   22                                                  
CONECT   22    4   21   23                                                  
CONECT   23    2   22   29                                                  
CONECT   24    5   17   27                                                  
CONECT   25    7   14   30                                                  
CONECT   26    6   18   28                                                  
CONECT   27   24   28   31                                                  
CONECT   28   26   27   32                                                  
CONECT   29   23                                                            
CONECT   30    8   25                                                       
CONECT   31    9   27   33                                                  
CONECT   32   10   28   34                                                  
CONECT   33   31   34   35                                                  
CONECT   34   32   33   36                                                  
CONECT   35   11   33   37                                                  
CONECT   36   34   38                                                       
CONECT   37   35   38                                                       
CONECT   38   36   37                                                       
CONECT   39   11                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

View in JSmol

Synonyms

Value	Source
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside	ChEBI
(8S-cis)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione	ChEBI
14-Hydroxydaunomycin	ChEBI
14-Hydroxydaunorubicine	ChEBI
Adriamycin	ChEBI
Doxorubicine	ChEBI
Doxorubicinum	ChEBI
ADR	Kegg
Adriblastina	Kegg
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranoside	Generator
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside	Generator
(8S-cis)-10-((3-Amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione	Generator
(8S-cis)-10-((3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione	Generator
Adriablastin	HMDB
Adriblastin	HMDB
Baxter brand OF doxorubicin hydrochloride	HMDB
Doxorubicin hydrochloride	HMDB
Doxorubicina ferrer farm	HMDB
Ferrer brand OF doxorubicin hydrochloride	HMDB
Onkoworks brand OF doxorubicin hydrochloride	HMDB
Urokit doxo-cell	HMDB
Ribosepharm brand OF doxorubicin hydrochloride	HMDB
Adrimedac	HMDB
Bedford brand OF doxorubicin hydrochloride	HMDB
Doxorubicin hexal	HMDB
Doxorubicin NC	HMDB
Doxorubicina funk	HMDB
Doxotec	HMDB
Kenfarma brand OF doxorubicin hydrochloride	HMDB
Prasfarma brand OF doxorubicin hydrochloride	HMDB
Rubex	HMDB
Tedec meiji brand OF doxorubicin hydrochloride	HMDB
Cell pharm brand OF doxorubicin hydrochloride	HMDB
Adriblastine	HMDB
Columbia brand OF doxorubicin hydrochloride	HMDB
Doxo cell	HMDB
Doxo-cell	HMDB
Elan brand OF doxorubicin hydrochloride	HMDB
Farmiblastina	HMDB
Lemery brand OF doxorubicin hydrochloride	HMDB
Myocet	HMDB
Onkodox	HMDB
Ribodoxo	HMDB
Adriablastine	HMDB
Bristol-myers squibb brand OF doxorubicin hydrochloride	HMDB
Doxolem	HMDB
Doxorubicina tedec	HMDB
Doxorubicine baxter	HMDB
Hexal brand OF doxorubicin hydrochloride	HMDB
Hydrochloride, doxorubicin	HMDB
Neocorp brand OF doxorubicin hydrochloride	HMDB
Pfizer brand OF doxorubicin hydrochloride	HMDB
Urokit doxo cell	HMDB
Medac brand OF doxorubicin hydrochloride	HMDB

Chemical Formula

C₂₇H₂₉NO₁₁

Average Mass

543.5193 Da

Monoisotopic Mass

543.17406 Da

IUPAC Name

(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

Traditional Name

doxorubicin

CAS Registry Number

Not Available

SMILES

COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O

InChI Identifier

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

InChI Key

AOJJSUZBOXZQNB-TZSSRYMLSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Dracocephalum kotschyi	LOTUS Database	35616633
Ixora coccinea	LOTUS Database	35616633
Streptomyces galilaeus	LOTUS Database	35616633
Streptomyces peucetius	LOTUS Database	35616633
Streptomyces venezuelae	LOTUS Database	35616633
Xylopia laevigata	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Gamma amino acids and derivatives

Alternative Parents

Substituents

Gamma amino acid or derivatives
Amino fatty acid
Fatty acyl
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Organopnictogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Amine
Primary aliphatic amine
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

gamma-amino acid (CHEBI:42797 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	1.41	ALOGPS
logP	0.92	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	9.53	ChemAxon
pKa (Strongest Basic)	8.94	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	206.07 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	134.59 m³·mol⁻¹	ChemAxon
Polarizability	53.87 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0015132

DrugBank ID

DB00997

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

29400

KEGG Compound ID

C01661

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Doxorubicin

METLIN ID

Not Available

PubChem Compound

31703

PDB ID

Not Available

ChEBI ID

28748

Good Scents ID

Not Available

References

General References

Weiss RB: The anthracyclines: will we ever find a better doxorubicin? Semin Oncol. 1992 Dec;19(6):670-86. [PubMed:1462166 ]
Minotti G: Reactions of adriamycin with microsomal iron and lipids. Free Radic Res Commun. 1989;7(3-6):143-8. doi: 10.3109/10715768909087936. [PubMed:2555273 ]
Arcamone F, Cassinelli G, Fantini G, Grein A, Orezzi P, Pol C, Spalla C: Adriamycin, 14-hydroxydaunomycin, a new antitumor antibiotic from S. peucetius var. caesius. Biotechnol Bioeng. 1969 Nov;11(6):1101-10. doi: 10.1002/bit.260110607. [PubMed:5365804 ]
Di Marco A, Gaetani M, Scarpinato B: Adriamycin (NSC-123,127): a new antibiotic with antitumor activity. Cancer Chemother Rep. 1969 Feb;53(1):33-7. [PubMed:5772652 ]

Showing NP-Card for Doxorubicin (NP0083968)

MOL for NP0083968 (Doxorubicin)

3D MOL for NP0083968 (Doxorubicin)

3D SDF for NP0083968 (Doxorubicin)

3D-SDF for NP0083968 (Doxorubicin)

PDB for NP0083968 (Doxorubicin)

3D PDB for NP0083968 (Doxorubicin)

SMILES for NP0083968 (Doxorubicin)

INCHI for NP0083968 (Doxorubicin)

Structure for NP0083968 (Doxorubicin)

3D Structure for NP0083968 (Doxorubicin)