Hedamycin
PubChem CID
98033
Structure
Molecular Formula
Synonyms
- Hedamycin
- 11048-97-8
- NSC-70929
- Antibiotic B26158
- Crystalline antibiotic B 26,158
Molecular Weight
746.8 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Description
Hedamycin has been reported in Streptomyces and Streptomyces griseoruber with data available.
Chemical Structure Depiction
Conformer generation is disallowed since too many atoms, too many undefined stereo centers
10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
RZOFHOWMWMTHDX-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1C(C(CC(O1)C2=CC(=C(C3=C2C(=O)C4=C(C3=O)C5=C(C(=C4)C)C(=O)C=C(O5)C6(C(O6)C7C(O7)C)C)O)C8CC(C(C(O8)C)O)(C)N(C)C)N(C)C)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C41H50N2O11
Computed by PubChem 2.2 (PubChem release 2021.10.14)
hedamycin
- Hedamycin
- 11048-97-8
- NSC-70929
- Antibiotic B26158
- Crystalline antibiotic B 26,158
- NSC-70929D
- NSC 70929
- B 26158
- Antibiotic B26,158
- NSC70929
- antibiotic B 26,158
- 10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
- Antiobiotic B 28158, crystalline
- B26158
- 4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(3,3'-dimethyl(2,2'-bioxiran)-3-yl)-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-
- 10-(4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl)-8-(4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl)-11-hydroxy-5-methyl-2-(2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl)naphtho(2,3-h)chromene-4,7,12-trione
- CHEMBL1979887
- GTPL10958
- DTXSID301028214
- NCI60_038569
- Q15411002
- 10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
- 4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(3,3'-dimethyl(2,2'-bioxiran-3-yl)-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-.beta.-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-.alpha.-L-lyxo-hexopyranos yl]-
- 4H-Anthra[1,7,12-trione, 2-(3,3'-dimethyl[2,2'-bioxiran]-3-yl)-11-hydroxy-5-methyl-8-[2,3,6-trideoxy-3-(dimethylamino)-.beta.-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-.alpha.-L-lyxo-hexopyranosyl]-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
746.8 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
2.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
13
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
746.34146042 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
746.34146042 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
171 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
54
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
1570
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
12
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
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