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104758-18-1

AlkaPlorer ID: AK011999

Synonym: 'Antibiotic 80334 C', '104759-19-5', 'Cinerubin B', '35906-51-5', 'cinerubin B', 'Cinerubine B'

IUPAC Name: methyl (1R,2R,4S)-4-[(2R,4R,5S,6R)-4-(dimethylamino)-5-[[(1R,3R,5R,8R,10R,12S,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Structure

SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H](N(C)C)[C@H](O[C@H]3C[C@H]4O[C@@H]5CC(=O)[C@@H](C)O[C@H]5O[C@@H]4[C@@H](C)O3)[C@@H](C)O2)C2=C(O)C3=C(C=C2[C@H]1C(=O)OC)C(=O)C1=C(O)C=CC(O)=C1C3=O

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InChI: InChI=1S/C42H51NO16/c1-8-42(51)15-27(30-19(34(42)40(50)52-7)11-20-31(36(30)48)37(49)33-23(45)10-9-22(44)32(33)35(20)47)57-28-12-21(43(5)6)38(17(3)53-28)58-29-14-25-39(18(4)54-29)59-41-26(56-25)13-24(46)16(2)55-41/h9-11,16-18,21,25-29,34,38-39,41,44-45,48,51H,8,12-15H2,1-7H3/t16-,17-,18-,21-,25-,26-,27+,28+,29+,34+,38-,39-,41+,42-/m1/s1

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InChIKey: ZBDDFHXUDIPRSM-OIAKBXSGSA-N

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Reference

PubChem CID: 162914237

NPASS: NPC2496

Source

Species Genus Family Order Class Phylum Kingdom Domain
Narcissus pseudonarcissus Narcissus Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces antibioticus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Artemisia iwayomogi Artemisia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Myxococcus xanthus Myxococcus Myxococcaceae Myxococcales Myxococcia Myxococcota None Bacteria
Lithospermum carolinense Lithospermum Boraginaceae Boraginales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Drimia altissima Drimia Hyacinthaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Taxus wallichiana Taxus Taxaceae Cupressales Pinopsida Streptophyta Viridiplantae Eukaryota
Ambrosia artemisiifolia Ambrosia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Evasterias retifera Evasterias Asteriidae Forcipulatida Asteroidea Echinodermata Metazoa Eukaryota
Sideritis glacialis Sideritis Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gypsophila paniculata Gypsophila Caryophyllaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aconitum umbrosum Aconitum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Abutilon bidentatum Abutilon Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rosa henryi Rosa Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Helenium amarum Helenium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Scutellaria viscidula Scutellaria Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Uperoleia rugosa Uperoleia Myobatrachidae Anura Amphibia Chordata Metazoa Eukaryota
Valeriana alliariifolia Valeriana Caprifoliaceae Dipsacales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bolboschoenus maritimus Bolboschoenus Cyperaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ligularia lankongensis Ligularia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Allium ampeloprasum Allium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Maytenus disticha Maytenus Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Conyza pallidiflora Conyza Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Senecio retrorsus Senecio Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lonicera nitida Lonicera Caprifoliaceae Dipsacales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 825.8610000000002

TPSA？: 226.28

MolLogP？: 2.879700000000003

Number of H-Donors: 4

Number of H-Acceptors: 17

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information