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Ingredients

Yuanhuacine

C37H44O10

Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Yuanhuacine
Molecular Formula
C37H44O10
Molecular Weight
No data
Canonical SMILES
CCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO
Isomeric SMILES
CCCCC/C=C/C=C/[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO
InChI
InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h10-19,23,25-26,28-30,32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,26+,28-,29+,30-,32-,33+,34-,35-,36+,37+/m1/s1
Oral Bioavailability
No data
Drug Likeness
0.113
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 ingredient5 Herbs
02
射干
She Gan / Belamcandae Rhizoma; Rhizoma Belamcandae
She GanBelamcandae Rhizoma; Rhizoma Belamcandae
03
桃仁
Tao Ren / Semen Persicae; Persicae Semen
Tao RenSemen Persicae; Persicae Semen