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
- 25466
- Core Entity Id
- 31500
- Source Entity Count
- 1
- Preferred Name
- Magnoquinone
- Name En
- Pubchem Id
- 5319211
- Smiles Canonical
- C=CCC1=C(C=CC(=C1)C2=CC(=O)C=CC2=O)O
- Molecular Formula
- C15H12O3
- Molecular Weight
- 240.2580
- Inchikey
- FEGJXAGGLBXBLV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O3/c1-2-3-11-8-10(4-6-14(11)17)13-9-12(16)5-7-15(13)18/h2,4-9,17H,1,3H2
- Isomeric Smiles
- C=CCC1=C(C=CC(=C1)C2=CC(=O)C=CC2=O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.2121
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Magnoquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Magnoquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Magnoquinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
大叶厚朴
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DA YE HOU PO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bigleaf Magnolia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
SCHEMBL18838049
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL18838049
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
大叶厚朴DA YE HOU POBigleaf MagnoliaSCHEMBL18838049
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034252
Npass
NPC197971
Tcmid
13382
Pub Chem
5319211
Tcmbank
TCMBANKIN049116
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O3/c1-2-3-11-8-10(4-6-14(11)17)13-9-12(16)5-7-15(13)18/h2,4-9,17H,1,3H2
Mol Wt
240.258
Mol Log P
2.2121
In Ch Ikey
FEGJXAGGLBXBLV-UHFFFAOYSA-N
Tcm Name
大叶厚朴
Tcm Name2
DA YE HOU PO
Mol2 Path
/TCM_database/2007_3d_all/13389.mol2
Reference
2134
Num Hdonors
1
Tcm Name En
Bigleaf Magnolia
Drug Likeness
0.651
Num Hacceptors
3
Isomeric Smiles
C=CCC1=C(C=CC(=C1)C2=CC(=O)C=CC2=O)O
Canonical Smiles
C=CCC1=C(C=CC(=C1)C2=CC(=O)C=CC2=O)O
Herb Alias Names
SCHEMBL18838049
Molecular Formula
C15H12O3
Num Rotatable Bonds
3