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Nanaomycin A

PubChem CID: 442757

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Compound Synonyms Nanaomycin A, Nanafrocin, 52934-83-5, Nanafrocine, Rosanomycin A, Nanomycin A, Nanafrocinum, Nanafrocina, Nanafrocin [INN], Nanafrocine [French], Nanafrocinum [Latin], Nanafrocina [Spanish], Antibiotic OS 3966A, UNII-8XBV72641V, CHEBI:48202, 8XBV72641V, NANAFROCIN [JAN], OS-3966-A, (1S,3R)-Nanaomycin A, NSC 267461, NSC-267461, DTXSID401018642, Nanafrocinum (Latin), (1S,3R)-3,4,5,10-Tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-1H-naphtho-(2,3-c)pyran-3-acetic acid, [(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-benzo[g]isochromen-3-yl]acetic acid, [(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl]acetic acid, 1H-Naphtho(2,3-c)pyran-3-acetic acid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, (1S-E)-, ((1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-benzo(g)isochromen-3-yl)acetic acid, ((1S,3R)-9-Hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho(2,3-c)pyran-3-yl)acetic acid, (1S,3R)-3,4,5,10-Tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-1H-naphtho(2,3-c)pyran-3-acetic Acid, (1S,3R)-3,4,5,10-Tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-1H-naphtho[2,3-c]pyran-3-acetic Acid, 2-((1R,3S)-9-Hydroxy-1-methyl-5,10-dioxo-1H,3H,4H,5H,10H-naphtho(2,3-c)pyran-3-yl)acetate, 2-[(1R,3S)-9-Hydroxy-1-methyl-5,10-dioxo-1H,3H,4H,5H,10H-naphtho[2,3-c]pyran-3-yl]acetate, SCHEMBL2111571, CHEMBL2106789, DTXCID301476714, BDBM50075103, OS 3966-A, AKOS040742270, 2-[(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid, DA-75987, HY-103397, CS-0027820, NS00011756, Q27104606, 1H-Naphtho[2,3-c]pyran-3-acetic acid,3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-(1S,3R)-, 2-((1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-benzo[g]isochromen-3-yl)acetic acid, 637-081-2
Topological Polar Surface Area 101.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 563.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id Q9UBC3
Iupac Name 2-[(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Prediction Hob 1.0
Target Id NPT3537
Xlogp 1.3
Molecular Formula C16H14O6
Prediction Swissadme 1.0
Inchi Key ZCJHPTKRISJQTN-JGVFFNPUSA-N
Fcsp3 0.3125
Logs -3.31
Rotatable Bond Count 2.0
Logd 0.719
Compound Name Nanaomycin A
Prediction Hob Swissadme 1.0
Exact Mass 302.079
Formal Charge 0.0
Monoisotopic Mass 302.079
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 302.28
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -2.609266581818182
Inchi InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1
Smiles C[C@H]1C2=C(C[C@@H](O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O
Nring 3.0
Defined Bond Stereocenter Count 0.0