xanthophyll Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central MeSH PubChem repoDB

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Chemistry

Mol. Mass

568.89

ALogP

10.4

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
  • InChIKey: KBPHJBAIARWVSC-RGZFRNHPSA-N
    InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL173929   ChEMBL
lutein

Xanthophyll   Wikipedia

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