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Ingredients

Ergosterol peroxide

C28H44O3

Entity Type
Ingredients
Relation Groups
2
Relation Preview
16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Ergosterol peroxide
Molecular Formula
C28H44O3
Molecular Weight
No data
Canonical SMILES
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C
Isomeric SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C
InChI
InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
Oral Bioavailability
40.363
Drug Likeness
0.412
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 ingredient8 Herbs
05
半夏
Ban Xia / Pinelliae Rhizoma; Rhizoma Pinelliae
Ban XiaPinelliae Rhizoma; Rhizoma Pinelliae
07
桂枝
Gui Zhi / Cinnamomi Ramulus; Ramulus Cinnamomi
Gui ZhiCinnamomi Ramulus; Ramulus Cinnamomi
08
桃仁
Tao Ren / Semen Persicae; Persicae Semen
Tao RenSemen Persicae; Persicae Semen