Proceraoside F; 21-O-{(6'R)-(2',6'-dimethyl)-6'-O-[4-O-(6''S)-menthiafolyl-beta-D-quinovopyranosyl)]-7'-octenoyl]}-3-O-{beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-[beta-D-glucopyranosyl]-(1->2)-beta-D-glucopyranosyl}acacic acid 28-O-beta-D-glucopyranosyl-(1->3)-[alpha-L-arabinofuranosyl-(1->4)]-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl ester

ID: ALA4483588

Chembl Id: CHEMBL4483588

PubChem CID: 155540577

Max Phase: Preclinical

Molecular Formula: C101H162O49

Molecular Weight: 2160.36

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  C=C[C@@](C)(O)CC/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@](C)(C=C)CCCC(C)C(=O)O[C@H]2C[C@]3(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)C[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3CC2(C)C)O[C@@H]1C

Standard InChI:  InChI=1S/C101H162O49/c1-16-96(11,130)26-18-20-41(4)83(128)143-76-42(5)135-89(74(125)69(76)120)150-97(12,17-2)27-19-21-40(3)82(127)141-57-32-101(93(129)149-92-81(67(118)62(113)50(35-104)139-92)148-88-75(126)78(145-86-72(123)65(116)60(111)48(33-102)136-86)77(43(6)134-88)144-85-71(122)63(114)51(36-105)138-85)45(30-94(57,7)8)44-22-23-54-98(13)28-25-56(95(9,10)53(98)24-29-99(54,14)100(44,15)31-55(101)108)142-91-80(147-87-73(124)66(117)61(112)49(34-103)137-87)68(119)64(115)52(140-91)39-133-90-79(59(110)47(107)38-132-90)146-84-70(121)58(109)46(106)37-131-84/h16-17,20,22,40,42-43,45-81,84-92,102-126,130H,1-2,18-19,21,23-39H2,3-15H3/b41-20+/t40?,42-,43+,45+,46-,47+,48-,49-,50-,51+,52-,53+,54-,55-,56+,57+,58+,59+,60-,61-,62-,63+,64-,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,84+,85+,86+,87+,88+,89+,90+,91+,92+,96-,97-,98+,99-,100-,101-/m1/s1

Standard InChI Key:  NHLYIZPYNRTTKP-RDGQBDGYSA-N

Alternative Forms

1. Parent:

   

   ALA4483588

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 2160.36

Molecular Weight (Monoisotopic): 2159.0185

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References

1. Zhang J, Akihisa T, Kurita M, Kikuchi T, Zhu WF, Ye F, Dong ZH, Liu WY, Feng F, Xu J..  (2018)  Melanogenesis-Inhibitory and Cytotoxic Activities of Triterpene Glycoside Constituents from the Bark of Albizia procera.,  81  (12): [PMID:30520635] [10.1021/acs.jnatprod.8b00167]

Source

Source(1):

• Scientific Literature