(2R,6aR,12aS)-2-Isopropenyl-8,9-dimethoxy-6a-methyl-1,2,12,12a-tetrahydro-6aH-chromeno[3,4-b]furo[2,3-h]chromen-6-one; compound with (2R,6aS,12aR)-2-isopropenyl-8,9-dimethoxy-6a-methyl-1,2,12,12a-tetrahydro-6aH-chromeno[3,4-b]furo[2,3-h]chromen-6-one

ID: ALA1794895

Chembl Id: CHEMBL1794895

Max Phase: Preclinical

Molecular Formula: C48H48O12

Molecular Weight: 816.90

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@]2(C)C3=O)O1.C=C(C)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@]2(C)C3=O)O1

Standard InChI:  InChI=1S/2C24H24O6/c2*1-12(2)17-8-14-16(29-17)7-6-13-22(14)30-21-11-28-18-10-20(27-5)19(26-4)9-15(18)24(21,3)23(13)25/h2*6-7,9-10,17,21H,1,8,11H2,2-5H3/t17-,21+,24+;17-,21-,24-/m11/s1

Standard InChI Key:  WUNJBMHGUQNSCK-NAUFYFGESA-N

Alternative Forms

1. Parent:

   

   ALA1794895

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 816.90

Molecular Weight (Monoisotopic): 816.3146

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References

1. Josephs JL, Casida JE.  (1992)  Novel synthetic rotenoids with blocked B/C ring systems,  2  (6): [10.1016/S0960-894X(01)81204-X]

Source

Source(1):

• Scientific Literature