Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 57122
- Core Entity Id
- 100133
- Source Entity Count
- 1
- Preferred Name
- oleanoic acid;oleanic acid
- Name En
- Pubchem Id
- 163010629
- Smiles Canonical
- CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1
- Molecular Formula
- C30H48O2
- Molecular Weight
- 441.0000
- Inchikey
- MXEMKMNFLXVQBW-LNVXMQETSA-N
- Inchi
- InChI=1S/C30H48O2/c1-25(2)15-17-30(24(31)32)18-16-28(6)20(21(30)19-25)9-10-23-27(5)13-8-12-26(3,4)22(27)11-14-29(23,28)7/h9,21-23H,8,10-19H2,1-7H3,(H,31,32)/t21-,22+,23+,27-,28+,29+,30-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.0000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 37.0000
- Molecular Volume
- 351.0000
- Alogp
- 8.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
oleanoic acid;oleanic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
牡丹皮;委陵菜;牛膝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Paeonia suffruticosa;Potentilla chinensis;Achyranthes bidentata
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
4.清热凉血药(6-6)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and blood-cooling medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
牡丹皮;委陵菜;牛膝Paeonia suffruticosa;Potentilla chinensis;Achyranthes bidentataheat-clearing medicinal4.清热凉血药(6-6)heat-clearing and blood-cooling medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN055919
Itcmdb Generated
ITX-INGREDIENT-63F5551E7DFB
Attributes
Merged source attributes and domain-specific metadata.
Alog P
8
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])C3([H])[H])C([H])([H])C3([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C2([H])[H])[C@]4
5C([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
2
P Count
0
S Count
0
Tcm Name
牡丹皮;委陵菜;牛膝
Mol2 Path
/TCM_database/2.清热药(64-64)/4.清热凉血药(6-6)/牡丹皮/structure/oleanoic acid.mol2;/TCM_database/2.清热药(64-64)/2.清热燥湿药(10-10)/委陵菜/structure/oleanic acid.mol2;/TCM_database/8.活血化瘀药(33-33)/2.活血调经药(11-11)/牛膝/structure/oleanoic acid.mol2
Tcm Name En
Paeonia suffruticosa;Potentilla chinensis;Achyranthes bidentata
Level1 Name
2.清热药(64-64);8.活血化瘀药(33-33)
Level2 Name
4.清热凉血药(6-6)
Num H Donors
1
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and blood-cooling medicinal
Num H Acceptors
2
Molecular Volume
351
Molecular Weight
441
Molecular Formula
C30H48O2
Num Rotatable Bonds
1
Molecular Polar Surface Area
37