Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23013
- Core Entity Id
- 28767
- Source Entity Count
- 1
- Preferred Name
- Isosopharicin d
- Name En
- Pubchem Id
- 15109170
- Smiles Canonical
- C=C1C(=O)[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]2[C@@H](O)C[C@]1(O)C3
- Molecular Formula
- C20H30O4
- Molecular Weight
- 334.2100
- Inchikey
- JBQRSXZPXBXNGX-JEAKYOOPSA-N
- Inchi
- InChI=1S/C20H30O4/c1-11-16(23)19-8-5-13-17(2,3)14(22)6-7-18(13,4)15(19)12(21)9-20(11,24)10-19/h12-15,21-22,24H,1,5-10H2,2-4H3/t12-,13+,14+,15-,18+,19+,20-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.9000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 77.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isosopharicin D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Isosopharicin D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Isosopharicin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isosopharicin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
川藏香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHUAN ZANG XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Szechwan-Tibet Rabdosia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
川藏香茶菜CHUAN ZANG XIANG CHA CAISzechwan-Tibet Rabdosia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031257
Tcmid
31348
Tcmbank
TCMBANKIN049138
Etcm Ingredient
Isosopharicin D
Itcmdb Generated
ITX-INGREDIENT-B3BA8DF4251C
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]2([H])[C@]3(C([H])([H])[C@](O[H])(C(=C([H])[H])C3=O)C([H])([H])[C@]2([H])O[H])C([H])([H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1(
[H])O[H]
Tcm Name
川藏香茶菜
Tcm Name2
CHUAN ZANG XIANG CHA CAI
Mol2 Path
/TCM_database/2003_3d_all/4403.mol2
Reference
405
Tcm Name En
Szechwan-Tibet Rabdosia
Molecular Weight
334.210
Molecular Formula
C20H30O4
Molecular Formula
C20H30O4
Molecular Formula
C20H30O4
Fda Maximum Daily Dose (Fdamdd)
0.962
Quantitative Estimate Of Drug Likeness（Qed）
0.594