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
- 29411
- Core Entity Id
- 35876
- Source Entity Count
- 1
- Preferred Name
- Perforamone b
- Name En
- Pubchem Id
- 11608981
- Smiles Canonical
- CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)C(CC(=C)C)O
- Molecular Formula
- C16H18O5
- Molecular Weight
- 290.3150
- Inchikey
- NECCMSLPKRWTRS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H18O5/c1-8(2)5-10(17)15-13(20-4)7-12(19)14-11(18)6-9(3)21-16(14)15/h6-7,10,17,19H,1,5H2,2-4H3
- Isomeric Smiles
- CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)C(CC(=C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8152
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Perforamone B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Perforamone b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Perforamone b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
牛筋果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NIU JIN GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Perforated Harrisonia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
5-hydroxy-8-(1-hydroxy-3-methylbut-3-enyl)-7-methoxy-2-methylchromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-8-(1-hydroxy-3-methylbut-3-enyl)-7-methoxy-2-methylchromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66730
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:66730
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2204371
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2204371
Role
alias
Source
HERB_v2
Preferred
No
Name
Performone B
Role
alias
Source
HERB_v2
Preferred
No
Name
Performone B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27135352
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27135352
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
牛筋果NIU JIN GUOPerforated Harrisonia5-hydroxy-8-(1-hydroxy-3-methylbut-3-enyl)-7-methoxy-2-methylchromen-4-oneCHEBI:66730CHEMBL2204371Performone BQ27135352
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039212
Npass
NPC139554
Tcmid
16900
Pub Chem
11608981
Tcmbank
TCMBANKIN041782
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H18O5/c1-8(2)5-10(17)15-13(20-4)7-12(19)14-11(18)6-9(3)21-16(14)15/h6-7,10,17,19H,1,5H2,2-4H3
Mol Wt
290.3150000000001
Mol Log P
2.815220000000001
In Ch Ikey
NECCMSLPKRWTRS-UHFFFAOYSA-N
Tcm Name
牛筋果
Tcm Name2
NIU JIN GUO
Mol2 Path
/TCM_database/2007_3d_all/16913.mol2
Reference
25
Num Hdonors
2
Tcm Name En
Perforated Harrisonia
Drug Likeness
0.846
Num Hacceptors
5
Isomeric Smiles
CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)C(CC(=C)C)O
Canonical Smiles
CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)C(CC(=C)C)O
Herb Alias Names
Performone BCHEBI:66730CHEMBL2204371Q271353525-hydroxy-8-(1-hydroxy-3-methylbut-3-enyl)-7-methoxy-2-methylchromen-4-one
Molecular Weight
290.31 g/mol
Molecular Formula
C16H18O5
Num Rotatable Bonds
4