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Ingredients

Withanolide d

C28H38O6

Entity Type
Ingredients
Relation Groups
2
Relation Preview
6

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Withanolide d
Molecular Formula
C28H38O6
Molecular Weight
No data
Canonical SMILES
CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)C
Isomeric SMILES
CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)C
InChI
InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1
Oral Bioavailability
58.292
Drug Likeness
0.474
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient4 Herbs
01
假酸浆
Jia Suan Jiang / Fructus Seu Semen Nicandrae Physaloidis
Jia Suan JiangFructus Seu Semen Nicandrae Physaloidis
03
水茄
Shui Qie / Radix et Caulis Solani Torvi
Shui QieRadix et Caulis Solani Torvi