IngredientID 40209
2 alpha, 3 alpha, 19 alpha, 23-tetrahydroxyurs-12-en-28-oic acid
C30H48O6
Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40209
- Core Entity Id
- 83220
- Source Entity Count
- 1
- Preferred Name
- 2 alpha, 3 alpha, 19 alpha, 23-tetrahydroxyurs-12-en-28-oic acid
- Name En
- Pubchem Id
- 162916088
- Smiles Canonical
- C[C@@H]1CC[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)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
- Molecular Formula
- C30H48O6
- Molecular Weight
- 505.0000
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.0000
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 118.0000
- Molecular Volume
- 371.0000
- Alogp
- 3.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2 alpha, 3 alpha, 19 alpha, 23-tetrahydroxyurs-12-en-28-oic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2 alpha, 3 alpha, 19 alpha, 23-tetrahydroxyurs-12-en-28-oic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
金樱子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Rosa laevigata
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
14.收涩药(17-17)
Role
level1_name
Source
TCMBank
Preferred
No
Name
astringent medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.固精缩尿止带药(6-6)
Role
level2_name
Source
TCMBank
Preferred
No
Name
secure essence, reduce urination and check vaginal discharge
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
金樱子Rosa laevigata14.收涩药(17-17)astringent medicinal3.固精缩尿止带药(6-6)secure essence, reduce urination and check vaginal discharge
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN000216
Etcm Ingredient
2 alpha, 3 alpha, 19 alpha, 23-tetrahydroxyurs-12-en-28-oic acid
Itcmdb Generated
ITX-INGREDIENT-71F21234532FITX-INGREDIENT-91BC47930B3B
Attributes
Merged source attributes and domain-specific metadata.
Alog P
3
Smiles
[C@@]1([H])(O[H])[C@]([C@]2([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@]([H])([C@@](O[H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]3(C(O[H])=O)C([H])([H])C4(
[H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])[C@@]1([H])O[H])(C([H])([H])[H])C([H])([H])O[H]
37 Flag
37
C Count
30
N Count
0
O Count
6
P Count
0
S Count
0
Tcm Name
金樱子
Mol2 Path
/TCM_database/14.收涩药(17-17)/3.固精缩尿止带药(6-6)/金樱子/Structure/2 alpha, 3 alpha, 19 alpha, 23-tetrahydroxyurs-12-en-28-oic acid.mol2
Tcm Name En
Rosa laevigata
Level1 Name
14.收涩药(17-17)
Level2 Name
3.固精缩尿止带药(6-6)
Num H Donors
5
Level1 Name En
astringent medicinal
Level2 Name En
secure essence, reduce urination and check vaginal discharge
Num H Acceptors
6
Molecular Weight
504.350
Molecular Volume
371
Molecular Weight
505
Molecular Formula
C30H48O6
Molecular Formula
C30H48O6
Num Rotatable Bonds
2
Molecular Polar Surface Area
118
Fda Maximum Daily Dose (Fdamdd)
0.579
Quantitative Estimate Of Drug Likeness（Qed）
0.361