Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 51095
- Core Entity Id
- 94106
- Source Entity Count
- 1
- Preferred Name
- Methylprednisolone
- Name En
- Pubchem Id
- 6741
- Smiles Canonical
- C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12
- Molecular Formula
- C22H30O5
- Molecular Weight
- 374.0000
- Inchikey
- VHRSUDSXCMQTMA-PJHHCJLFSA-N
- Inchi
- InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.0000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 95.0000
- Molecular Volume
- 258.0000
- Alogp
- 2.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methylprednisolone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Methylprednisolone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
罗布麻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Apocynum venetum
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
12.平抑肝阳药(7-7)
Role
level2_name
Source
TCMBank
Preferred
No
Name
liver-yang calming medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
罗布麻Apocynum venetum12.平肝息风药(15-15)liver-pacifying and wind-extinguishing medicinal12.平抑肝阳药(7-7)liver-yang calming medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN036753
Etcm Ingredient
Methylprednisolone
Itcmdb Generated
ITX-INGREDIENT-1D8AD7EE5B82ITX-INGREDIENT-E3E6387F0D77
Attributes
Merged source attributes and domain-specific metadata.
Alog P
2
Smiles
C1([H])=C([H])[C@](C([H])([H])[H])([C@@]([H])([C@@]([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@](O[H])(C(=O)C([H])([H])O[H])C([H])([H])C2([H])[H])[C@@]23[H])[C@@]3([H])C([H])([H])[C@]4([H])C([H])([
H])[H])C4=C([H])C1=O
37 Flag
37
C Count
22
N Count
0
O Count
5
P Count
0
S Count
0
Tcm Name
罗布麻
Mol2 Path
/TCM_database/12.平肝息风药(15-15)/12.平抑肝阳药(7-7)/罗布麻/structure/3D/Methylprednisolone.mol2
Tcm Name En
Apocynum venetum
Level1 Name
12.平肝息风药(15-15)
Level2 Name
12.平抑肝阳药(7-7)
Num H Donors
3
Level1 Name En
liver-pacifying and wind-extinguishing medicinal
Level2 Name En
liver-yang calming medicinal
Num H Acceptors
5
Molecular Weight
374.210
Molecular Volume
258
Molecular Weight
374
Molecular Formula
C22H30O5
Molecular Formula
C22H30O5
Num Rotatable Bonds
2
Molecular Polar Surface Area
95
Fda Maximum Daily Dose (Fdamdd)
0.928
Quantitative Estimate Of Drug Likeness（Qed）
0.642