7-Oxomogroside IV

ID: ALA4129463

Chembl Id: CHEMBL4129463

PubChem CID: 132606980

Max Phase: Preclinical

Molecular Formula: C54H90O25

Molecular Weight: 1139.29

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C

Standard InChI:  InChI=1S/C54H90O25/c1-21(9-11-32(51(4,5)71)78-49-44(40(67)35(62)28(19-57)75-49)79-48-43(70)38(65)34(61)27(18-56)74-48)22-13-14-52(6)45-25(58)15-24-23(54(45,8)30(59)16-53(22,52)7)10-12-31(50(24,2)3)77-47-42(69)39(66)36(63)29(76-47)20-72-46-41(68)37(64)33(60)26(17-55)73-46/h15,21-23,26-49,55-57,59-71H,9-14,16-20H2,1-8H3/t21-,22-,23-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46-,47+,48+,49+,52+,53-,54-/m1/s1

Standard InChI Key:  YSAZFSHVWLGSEX-VRPHTDAQSA-N

Alternative Forms

1. Parent:

   

   ALA4129463

   ---

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: 1139.29

Molecular Weight (Monoisotopic): 1138.5771

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References

1. Niu B, Ke CQ, Li BH, Li Y, Yi Y, Luo Y, Shuai L, Yao S, Lin LG, Li J, Ye Y..  (2017)  Cucurbitane Glucosides from the Crude Extract of Siraitia grosvenorii with Moderate Effects on PGC-1α Promoter Activity.,  80  (5): [PMID:28448136] [10.1021/acs.jnatprod.6b01086]

Source

Source(1):

• Scientific Literature