Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13393
- Core Entity Id
- 18055
- Source Entity Count
- 1
- Preferred Name
- Cajinin
- Name En
- Pubchem Id
- 5281706
- Smiles Canonical
- COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
- Molecular Formula
- C16H12O6
- Molecular Weight
- 300.2660
- Inchikey
- ALFNTRJPGFNJQV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3
- Isomeric Smiles
- COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
- Cas Id
- Ob Score
- 68.7955
- Mol Logp
- 2.5854
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cajinin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cajinin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cajinin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cajinin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-7-METHOXY-4H-1-BENZOPYRAN-4-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-7-METHOXY-4H-1-BENZOPYRAN-4-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromone
Role
alias
Source
TCMBank
Preferred
No
Name
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
32884-36-9
Role
alias
Source
TCMBank
Preferred
No
Name
32884-36-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
32884-36-9
Role
alias
Source
HERB_v2
Preferred
No
Name
5,2',4'-Trihydroxy-7-methoxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,2',4'-Trihydroxy-7-methoxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10203
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:70036
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:70036
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cajanin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cajanin
Role
alias
Source
TCMBank
Preferred
No
Name
Cajanin
Role
alias
Source
HERB_v2
Preferred
No
Name
Cajinin
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID10954540
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10954540
Role
alias
Source
HERB_v2
Preferred
No
Name
F3QGE5M9QS
Role
alias
Source
HERB_v2
Preferred
No
Name
F3QGE5M9QS
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isoflavone, 2,',4',5-trihydroxy-7-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoflavone, 2,',4',5-trihydroxy-7-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-7-METHOXY-4H-1-BENZOPYRAN-4-ONE3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-chromenone3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromone3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one32884-36-95,2',4'-Trihydroxy-7-methoxyisoflavoneC10203CHEBI:70036CajaninDTXSID10954540F3QGE5M9QSIsoflavone, 2,',4',5-trihydroxy-7-methoxy-
Cross References
Trusted external identifiers retained for this final record.
Cas
32884-36-9
Herb
HBIN019318
Npass
NPC90665
Tcmid
2931
Tcmsp
MOL000502
Sym Map
SMIT01315SMIT03090
Tcm Id
6024
Pub Chem
5281706
Tcmbank
TCMBANKIN038997
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3
Mol Wt
300.266
Smiles
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
Mol Log P
2.585400000000001
Version
v1,v2
In Ch Ikey
ALFNTRJPGFNJQV-UHFFFAOYSA-N
Ob Score
68.79549502
Suppress
1
Mol2 Path
/TCM_database/2007_3d_all/02931.mol2
Reference
2205
Num Hdonors
3
Drug Likeness
0.672
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
Molecule Weight
300.28
Canonical Smiles
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
Herb Alias Names
Cajanin32884-36-93-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-oneF3QGE5M9QS3-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-7-METHOXY-4H-1-BENZOPYRAN-4-ONE5,2',4'-Trihydroxy-7-methoxyisoflavoneCHEBI:70036Isoflavone, 2,',4',5-trihydroxy-7-methoxy-DTXSID10954540
Molecular Weight
300.26 g/mol
Molecule Formula
C16H12O6
Molecular Formula
C16H12O6
Molecular Formula
C16H12O6
Num Rotatable Bonds
2
Link Ingredient Id
1315.0