Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 51748
- Core Entity Id
- 94759
- Source Entity Count
- 1
- Preferred Name
- Β-Amyrin Acetate
- Name En
- Pubchem Id
- 10552249
- Smiles Canonical
- CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C
- Molecular Formula
- C32H52O2
- Molecular Weight
- 468.7500
- Inchikey
- UMRPOGLIBDXFNK-XHGHLAIBSA-N
- Inchi
- InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26+,29+,30-,31+,32+/m0/s1
- Isomeric Smiles
- Cas Id
- 1616-93-9
- Ob Score
- 42.7041
- Mol Logp
- 9.7000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
amyrin acetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Α-Amyrin Acetate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
α-Amyrin acetate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
艾叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
AI YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Argy Wormwood Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3β-O-acetoxyolean-12-en- 28-oic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Acetic acid oleana-12-ene-3alpha-yl ester
Role
alias
Source
TCMBank
Preferred
No
Name
beta-amyrin acetate
Role
alias
Source
TCMBank
Preferred
No
Name
b—Amyrin-acetate
Role
alias
Source
TCMBank
Preferred
No
Name
β- amyrin acetate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
amyrin acetateΑ-Amyrin Acetate艾叶AI YEArgy Wormwood Leaf3β-O-acetoxyolean-12-en- 28-oic acidAcetic acid oleana-12-ene-3alpha-yl esterbeta-amyrin acetateb—Amyrin-acetateβ- amyrin acetate
Cross References
Trusted external identifiers retained for this final record.
Tcm Id
13908139091714120774
Pub Chem
10552249
Tcmbank
TCMBANKIN041080TCMBANKIN041128
Etcm Ingredient
amyrin acetateα-amyrin acetateβ-amyrin acetate
Itcmdb Generated
ITX-INGREDIENT-0E3D524F787CITX-INGREDIENT-27E5FAC43B18ITX-INGREDIENT-62554B31F343ITX-INGREDIENT-D07FFBFCBF40
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C
Version
v1v1,v2
Ob Score
42.704141949.1073919.107391374
Suppress
0
Tcm Name
艾叶
Tcm Name2
AI YE
Mol2 Path
/TCM_database/2007_3d_all/01111.mol2/TCM_database/2007_3d_all/01112.mol2
Reference
6, 236, 503, 5366, 503, 660
Tcm Name En
Argy Wormwood Leaf
Molecule Weight
468.84
Molecular Weight
468.400
Molecular Weight
468.75
Molecule Formula
C32H52O2
Molecular Formula
C32H52O2
Molecular Formula
C32H52O2
Fda Maximum Daily Dose (Fdamdd)
0.6320.7820.886
Quantitative Estimate Of Drug Likeness（Qed）
0.284