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
- 25802
- Core Entity Id
- 31874
- Source Entity Count
- 1
- Preferred Name
- Meliaionoside b
- Name En
- Pubchem Id
- 162841763
- Smiles Canonical
- C[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@H](CO)C[C@H](O)CC1(C)C
- Molecular Formula
- C19H36O8
- Molecular Weight
- 392.2400
- Inchikey
- QNOHFLAXFNWEEI-PZKIOYHUSA-N
- Inchi
- InChI=1S/C19H36O8/c1-10(4-13-11(7-20)5-12(22)6-19(13,2)3)9-26-18-17(25)16(24)15(23)14(8-21)27-18/h10-18,20-25H,4-9H2,1-3H3/t10-,11+,12-,13+,14+,15+,16-,17+,18+/m0/s1
- Isomeric Smiles
- Cas Id
- 128533-21-1
- Ob Score
- Mol Logp
- -0.7653
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 140.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Melia-ionoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Meliaionoside B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Meliaionoside B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Meliaionoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Meliaionoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
苦楝皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KU LIAN PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinaberry-tree Bark
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
melia-ionoside b
Role
alias
Source
itcmdb_public
Preferred
No
Name
melia-ionoside b
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Melia-ionoside B苦楝皮KU LIAN PIChinaberry-tree Bark
Cross References
Trusted external identifiers retained for this final record.
Cas
128533-21-1
Herb
HBIN034667
Tcmid
1365831501
Sym Map
SMIT25326
Tcm Id
2781
Tcmbank
TCMBANKIN007384
Etcm Ingredient
Meliaionoside B
Itcmdb Generated
ITX-INGREDIENT-582A0A8F62E0ITX-INGREDIENT-B9008DD4A2FAITX-INGREDIENT-C8F487ECD127
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
128533-21-1
Smiles
C1([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C([H])([H])[C@](C([H])([H])[H])(C([H])([H])O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)[H])[C@@]([H])
(C([H])([H])O[H])C([H])([H])[C@]1([H])O[H]
Version
v2
Suppress
0
Tcm Name
苦楝皮
Tcm Name2
KU LIAN PI
Mol2 Path
/TCM_database/2003_3d_all/5270.mol2
Reference
1263
Tcm Name En
Chinaberry-tree Bark
Herb Alias Names
melia-ionoside b
Molecular Weight
392.240
Molecular Formula
C19H36O8
Molecular Formula
C19H36O8
Molecular Formula
C19H36O8
Fda Maximum Daily Dose (Fdamdd)
0.130
Quantitative Estimate Of Drug Likeness（Qed）
0.337