proceraoside D

ID: ALA4448517

Chembl Id: CHEMBL4448517

PubChem CID: 155519928

Max Phase: Preclinical

Molecular Formula: C95H152O44

Molecular Weight: 1998.22

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(C)(C)[C@@H]6CC[C@]54C)[C@@H]3CC2(C)C)O[C@@H]1C

Standard InChI:  InChI=1S/C95H152O44/c1-16-90(11,121)26-18-20-40(4)78(119)133-72-41(5)126-84(70(116)65(72)111)139-91(12,17-2)27-19-21-39(3)77(118)131-55-32-95(87(120)138-86-76(64(110)59(105)48(34-97)129-86)137-83-71(117)74(135-82-69(115)62(108)58(104)47(33-96)127-82)73(42(6)125-83)134-81-67(113)60(106)49(35-98)128-81)44(30-88(55,7)8)43-22-23-52-92(13)28-25-54(89(9,10)51(92)24-29-93(52,14)94(43,15)31-53(95)101)132-80-68(114)63(109)61(107)50(130-80)38-124-85-75(57(103)46(100)37-123-85)136-79-66(112)56(102)45(99)36-122-79/h16-17,20,22,39,41-42,44-76,79-86,96-117,121H,1-2,18-19,21,23-38H2,3-15H3/b40-20+/t39?,41-,42+,44+,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-,79+,80+,81+,82+,83+,84+,85+,86+,90-,91-,92+,93-,94-,95-/m1/s1

Standard InChI Key:  HQJDTNQUMAVTSG-BECFAGSESA-N

Alternative Forms

1. Parent:

   

   ALA4448517

   ---

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: 1998.22

Molecular Weight (Monoisotopic): 1996.9656

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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