Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25815
- Core Entity Id
- 31888
- Source Entity Count
- 1
- Preferred Name
- Melicarpinone
- Name En
- Pubchem Id
- 132531398
- Smiles Canonical
- COC1=C2C=CC(=O)C=C2OC3=C1C=CO3
- Molecular Formula
- C12H8O4
- Molecular Weight
- 216.1920
- Inchikey
- MULOFMBAFZELGL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H8O4/c1-14-11-8-3-2-7(13)6-10(8)16-12-9(11)4-5-15-12/h2-6H,1H3
- Isomeric Smiles
- COC1=C2C=CC(=O)C=C2OC3=C1C=CO3
- Cas Id
- Ob Score
- Mol Logp
- 2.4994
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Melicarpinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Melicarpinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Melicarpinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
似肉托果叶蜜茱萸
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SI ROU TUO GUO YE MI ZHU YU
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
似肉托果叶蜜茱萸SI ROU TUO GUO YE MI ZHU YU
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034681
Tcmid
13667
Pub Chem
132531398
Tcmbank
TCMBANKIN045238
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H8O4/c1-14-11-8-3-2-7(13)6-10(8)16-12-9(11)4-5-15-12/h2-6H,1H3
Mol Wt
216.192
Mol Log P
2.499400000000001
In Ch Ikey
MULOFMBAFZELGL-UHFFFAOYSA-N
Tcm Name
似肉托果叶蜜茱萸
Tcm Name2
SI ROU TUO GUO YE MI ZHU YU
Mol2 Path
/TCM_database/2007_3d_all/13674.mol2
Reference
5405
Num Hdonors
0
Drug Likeness
0.627
Num Hacceptors
4
Isomeric Smiles
COC1=C2C=CC(=O)C=C2OC3=C1C=CO3
Canonical Smiles
COC1=C2C=CC(=O)C=C2OC3=C1C=CO3
Molecular Weight
216.19 g/mol
Molecular Formula
C12H8O4
Num Rotatable Bonds
1