20(R)-ginsenoside Rg3

ID: ALA1095008

PubChem CID: 46887680

Max Phase: Preclinical

Molecular Formula: C42H72O13

Molecular Weight: 785.03

Molecule Type: Small molecule

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C

Standard InChI: InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42+/m0/s1

Standard InChI Key: RWXIFXNRCLMQCD-CZIWJLDFSA-N

Molfile:

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M  END

Associated Targets(Human)

PC-3 (62116 Activities)

Natural Product: Yes	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

Molecular Weight: 785.03	Molecular Weight (Monoisotopic): 784.4973	AlogP: 2.15	#Rotatable Bonds: 10
Polar Surface Area: 218.99	Molecular Species: NEUTRAL	HBA: 13	HBD: 9
#RO5 Violations: 3	HBA (Lipinski): 13	HBD (Lipinski): 9	#RO5 Violations (Lipinski): 3
CX Acidic pKa: 12.09	CX Basic pKa: ┄	CX LogP: 1.99	CX LogD: 1.99
Aromatic Rings: ┄	Heavy Atoms: 55	QED Weighted: 0.11	Np Likeness Score: 2.67

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20(R)-ginsenoside Rg3

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source