Compound Summary


  Compound Information
 Mulberrofuran M

Compound Name:

Mulberrofuran M

Compound CID:

21594897

Synonyms:

Mulberrofuran M

cpd w/o isomeric designation

3-(p-Chlorophenyl)-Alanine

4-CHLORO-PHENYLALANINE

DL-3-(4-Chlorophenyl)alanine

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Iupac Name:

[16-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-12-methyl-11-oxo-3,13-dioxapentacyclo[10.7.1.02,10.04,9.014,19]icosa-2(10),4(9),5,7,14(19),15,17-heptaen-8-yl] 2,4-dihydroxybenzoate

InChI:

InChI=1S/C34H22O10/c1-34-14-22(20-6-4-19(37)13-26(20)44-34)31-30(32(34)39)29-27(42-31)9-16(24-8-15-2-3-18(36)12-25(15)41-24)10-28(29)43-33(40)21-7-5-17(35)11-23(21)38/h2-13,22,35-38H,14H2,1H3

InChIKey:

UCGIUWUATGREEP-UHFFFAOYSA-N

Canonical Smiles:

CC12CC(C3=C(O1)C=C(C=C3)O)C4=C(C2=O)C5=C(O4)C=C(C=C5OC(=O)C6=C(C=C(C=C6)O)O)C7=CC8=C(O7)C=C(C=C8)O

Isomeric Smiles:

CC12CC(C3=C(O1)C=C(C=C3)O)C4=C(C2=O)C5=C(O4)C=C(C=C5OC(=O)C6=C(C=C(C=C6)O)O)C7=CC8=C(O7)C=C(C=C8)O

Molecular Weight:

590.5

Molecular Formula:

C34H22O10

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 Mulberrofuran M

Molecular Weight:

590.5

Molecular Formula:

C34H22O10

Hydrogen Bond Donor Count:

4

Hydrogen Bond Acceptor Count:

10

Rotatable Bond Count:

4

Heavy Atom Count:

44

Complexity:

1130

  Synonyms
 Mulberrofuran M

Mulberrofuran M Mulberrofuran M

Mulberrofuran M

cpd w/o isomeric designation

3-(p-Chlorophenyl)-Alanine

4-CHLORO-PHENYLALANINE

DL-3-(4-Chlorophenyl)alanine

3-(4-Chlorophenyl)-DL-Alanine

  Experimental Data
 Mulberrofuran M

Species Dosage Unit CG Lifespan(AVG/MED days) TG Lifespan(AVG/MED days) Lifespan Change(AVG/MED%) CG Lifespan(MAX days) TG Lifespan(MAX days) Lifespan Change(MAX%) Significant Strain Gender PubMed Active Label
Drosophila melanogaster 200 umol/L 44.01 42.76 -2.852 NS MALES 33008901 Inactive
Drosophila melanogaster 20 umol/L 48.86 50.23 2.807 NS FEMALES 33008901 Inactive
  Experimental Data Visualization
 Mulberrofuran M

  Statistics Data
 Mulberrofuran M

Species Lifespan Change(AVG/MED%) Lifespan Change(MAX%) Count Reference Count Data point
Drosophila melanogaster 2.807 1 2
  Statistics Data Visualization
 Mulberrofuran M