Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 58455
- Core Entity Id
- 101466
- Source Entity Count
- 1
- Preferred Name
- 钩藤; 苦楝皮
- Name En
- Pubchem Id
- 64945
- Smiles Canonical
- C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
- Molecular Formula
- C30H48O3
- Molecular Weight
- 457.0000
- Inchikey
- WCGUUGGRBIKTOS-GPOJBZKASA-N
- Inchi
- InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.0000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 58.0000
- Molecular Volume
- 356.0000
- Alogp
- 6.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
钩藤; 苦楝皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Uncaria macrophylla; Melia azedarach L
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Gambir plant (uncaria); Szechwan chinaberry bark
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
12.平肝息风药(15-15)
Role
level1_name
Source
TCMBank
Preferred
No
Name
liver-pacifying and wind-extinguishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.息风止痉药(8-8)
Role
level2_name
Source
TCMBank
Preferred
No
Name
extinguish wind to arrest convulsions
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Uncaria macrophylla; Melia azedarach LGambir plant (uncaria); Szechwan chinaberry bark12.平肝息风药(15-15)liver-pacifying and wind-extinguishing medicinal2.息风止痉药(8-8)extinguish wind to arrest convulsions
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN057827
Itcmdb Generated
ITX-INGREDIENT-6C335D8A7357
Attributes
Merged source attributes and domain-specific metadata.
Alog P
6
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@]([H])([C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(O[H])=O)C([H])([H])C3([H])[H])[C@
@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
37 Flag
37
C Count
30
N Count
0
O Count
3
P Count
0
S Count
0
Tcm Name
钩藤; 苦楝皮
Tcm Name2
Uncaria macrophylla; Melia azedarach L
Mol2 Path
/TCM_database/12.平肝息风药(15-15)/2.息风止痉药(8-8)/钩藤/Uncaria macrophylla/strucure/ursolic acid.mol2; /TCM_database/18.驱虫药(9-9)/苦楝皮/Melia azedarach L/3D/ursolic acid.mol2
Tcm Name En
Gambir plant (uncaria); Szechwan chinaberry bark
Level1 Name
12.平肝息风药(15-15)
Level2 Name
2.息风止痉药(8-8)
Num H Donors
2
Level1 Name En
liver-pacifying and wind-extinguishing medicinal
Level2 Name En
extinguish wind to arrest convulsions
Num H Acceptors
3
Molecular Volume
356
Molecular Weight
457
Molecular Formula
C30H48O3
Num Rotatable Bonds
1
Molecular Polar Surface Area
58