Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 11Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 45026
- Core Entity Id
- 88037
- Source Entity Count
- 1
- Preferred Name
- 2alpha-hydroxyoleanolic acid
- Name En
- Pubchem Id
- 73659
- Smiles Canonical
- CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
- Molecular Formula
- C30H48O4
- Molecular Weight
- 473.0000
- Inchikey
- MDZKJHQSJHYOHJ-LLICELPBSA-N
- Inchi
- InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.0000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 78.0000
- Molecular Volume
- 360.0000
- Alogp
- 5.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2alpha-hydroxyoleanolic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2alpha-hydroxyoleanolic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
委陵菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Potentilla chinensis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.清热燥湿药(10-10)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and dampness-drying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
委陵菜Potentilla chinensis2.清热药(64-64)heat-clearing medicinal2.清热燥湿药(10-10)heat-clearing and dampness-drying medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN017054
Etcm Ingredient
2alpha-hydroxyoleanolic acid
Itcmdb Generated
ITX-INGREDIENT-F60B93F5BAF3ITX-INGREDIENT-FCFC1E28DE08
Attributes
Merged source attributes and domain-specific metadata.
Alog P
5
Smiles
C(O[H])(=O)[C@]1([C@@](C(=C([H])C([H])([H])[C@]([H])([C@](C([H])([H])[H])([C@]2([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]3([H])O[H])C([H])([H])[C@@]3([H])O[H])[C@@]4(C([H])([H])[H])C([H])([H])C2([H])
[H])[C@]45C([H])([H])[H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C5([H])[H]
37 Flag
37
C Count
30
N Count
0
O Count
4
P Count
0
S Count
0
Tcm Name
委陵菜
Mol2 Path
/TCM_database/2.清热药(64-64)/2.清热燥湿药(10-10)/委陵菜/structure/2alpha-hydroxyoleanolic acid.mol2
Tcm Name En
Potentilla chinensis
Level1 Name
2.清热药(64-64)
Level2 Name
2.清热燥湿药(10-10)
Num H Donors
3
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and dampness-drying medicinal
Num H Acceptors
4
Molecular Weight
472.360
Molecular Volume
360
Molecular Weight
473
Molecular Formula
C30H48O4
Molecular Formula
C30H48O4
Num Rotatable Bonds
1
Molecular Polar Surface Area
78
Fda Maximum Daily Dose (Fdamdd)
0.895
Quantitative Estimate Of Drug Likeness（Qed）
0.397