Feedback

doxorubicinol

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107866

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₇H₃₁NO₁₁

charge

mass

545.18971

reference

chebi:133817

InChIKey

NKZRZOVSJNSBFR-FEMMEMONSA-N

InChI

InChI=1S/C27H31NO11/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-,16-,17-,22+,27-/m0/s1

SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133817 chebi:133817	doxorubicinol (1S,3S)-3-[(1S)-1,2-dihydroxyethyl]-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 13-dihydrodoxorubicin Antibiotic 27706RP DOXOL adriamycinol
sabiork.compound:27320 sabiorkM:27320	Doxorubicinol
hmdb:HMDB0041884	Doxorubicinol (8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8-[(1S)-1,2-dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione (8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8-[(1S)-1,2-dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-9,10-dihydro-7H-tetracene-5,12-dione 13-Dihydrodoxorubicin Adriamycinol Adriamycinol hydrochloride Adriamycinol, 8S-(8alpha,8R*,10alpha)-isomer Antibiotic 27706Rp DOXOL
hmdb:HMDB41884	secondary/obsolete/fantasy identifier