Navigation

name Structure Reference Source Properties Activities Metabolism

Simocyclinone D8

AlkaPlorer ID: AK006464

Synonym: '', 'Simocyclinone D8', 'CHEMBL1235969'

IUPAC Name: [(2R,3R,4R,6R)-3-acetyloxy-2-methyl-6-[(1R,2S,7S,9S,10R,11S)-2,7,9,11,13-pentahydroxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-4,12(17),13,15-tetraen-14-yl]oxan-4-yl] 10-[(8-chloro-4,7-dihydroxy-2-oxochromen-3-yl)amino]-10-oxodeca-2,4,6,8-tetraenoate

Structure

SMILES: CC(=O)O[C@@H]1[C@@H](C)O[C@@H](C2=CC=C3C(=O)[C@]45O[C@]4([C@@H](O)C[C@@]4(O)CC(C)=CC(=O)[C@]45O)[C@@H](O)C3=C2O)C[C@H]1OC(=O)C=CC=CC=CC=CC(=O)NC1=C(O)C2=CC=C(O)C(Cl)=C2OC1=O

copy

InChI: InChI=1S/C46H42ClNO18/c1-20-16-29(51)45(61)43(60,18-20)19-30(52)44-41(58)33-24(40(57)46(44,45)66-44)13-12-23(36(33)55)27-17-28(38(21(2)62-27)63-22(3)49)64-32(54)11-9-7-5-4-6-8-10-31(53)48-35-37(56)25-14-15-26(50)34(47)39(25)65-42(35)59/h4-16,21,27-28,30,38,41,50,52,55-56,58,60-61H,17-19H2,1-3H3,(H,48,53)/t21-,27-,28-,30+,38-,41+,43+,44-,45+,46+/m1/s1

copy

InChIKey: PLEGMCYXNQPJNV-VAVRAEDDSA-N

copy

Reference

PubChem CID: 162982242

NPASS: NPC138686

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
Evasterias retifera Evasterias Asteriidae Forcipulatida Asteroidea Echinodermata Metazoa Eukaryota
Sideritis glacialis Sideritis Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aconitum umbrosum Aconitum Ranunculaceae Ranunculales 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
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: 932.2840000000002

TPSA？: 309.42

MolLogP？: 3.003500000000001

Number of H-Donors: 8

Number of H-Acceptors: 18

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information