Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 4Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40447
- Core Entity Id
- 83458
- Source Entity Count
- 1
- Preferred Name
- Alpha-Monoolein
- Name En
- Pubchem Id
- 5283468
- Smiles Canonical
- CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
- Molecular Formula
- C21H40O4
- Molecular Weight
- 356.5000
- Inchikey
- RZRNAYUHWVFMIP-KTKRTIGZSA-N
- Inchi
- InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
- Isomeric Smiles
- Cas Id
- Ob Score
- 34.1311
- Mol Logp
- 6.5000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 19
- Drug Likeness
- Polar Surface Area
- 66.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alpha-Monoolein
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
alpha-monoolein
Role
preferred
Source
TCMBank
Preferred
Yes
Name
芒果核
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MANG GUO HE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mango Seed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
芒果核MANG GUO HEMango Seed
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015612
Tcmbank
TCMBANKIN001086TCMBANKIN060961
Itcmdb Generated
ITX-INGREDIENT-C9882000E626
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
C([H])([H])(OC(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C([H])/C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=
O)[C@]([H])(C([H])([H])O[H])O[H]CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
Version
v1,v2
Ob Score
34.131078
Suppress
0
Tcm Name
芒果核
Tcm Name2
MANG GUO HE
Mol2 Path
/TCM_database/2003_3d_all/5976.mol2
Reference
6
Tcm Name En
Mango Seed
Molecular Weight
356.5 g/mol
Molecular Formula
C21H40O4