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
- 16843
- Core Entity Id
- 21891
- Source Entity Count
- 1
- Preferred Name
- Desmosflavone
- Name En
- Pubchem Id
- 369598
- Smiles Canonical
- CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O
- Molecular Formula
- C18H16O4
- Molecular Weight
- 296.3220
- Inchikey
- PQZXFPBMXPGZMO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-9,20H,1-3H3
- Isomeric Smiles
- CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 3.7910
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Desmosflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Desmosflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
desmosflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14004-56-9
Role
alias
Source
HERB_v2
Preferred
No
Name
14004-56-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-7-methoxy-6,8-di-C-methylflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-7-methoxy-6,8-di-C-methylflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-7-methoxy-6,8-dimethylflavon
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-7-methoxy-6,8-dimethylflavon
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-7-methoxy-6,8-dimethylflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-7-methoxy-6,8-dimethylflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-7-methoxy-6,8-dimethyl-2-phenylchromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-7-methoxy-6,8-dimethyl-2-phenylchromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL51162
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL51162
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40327283
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40327283
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC641479
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC641479
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
14004-56-95-Hydroxy-7-methoxy-6,8-di-C-methylflavone5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-4-one5-Hydroxy-7-methoxy-6,8-dimethylflavon5-Hydroxy-7-methoxy-6,8-dimethylflavone5-hydroxy-7-methoxy-6,8-dimethyl-2-phenylchromen-4-oneCHEMBL51162DTXSID40327283NSC641479
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023485
Npass
NPC53181
Tcmid
5269
Pub Chem
369598
Tcmbank
TCMBANKIN047758
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-9,20H,1-3H3
Mol Wt
296.322
Smiles
CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O
Mol Log P
3.791040000000004
In Ch Ikey
PQZXFPBMXPGZMO-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/05270.mol2
Reference
312
Num Hdonors
1
Drug Likeness
0.781
Num Hacceptors
4
Isomeric Smiles
CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O
Canonical Smiles
CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O
Herb Alias Names
NSC64147914004-56-95-Hydroxy-7-methoxy-6,8-dimethylflavon5-Hydroxy-7-methoxy-6,8-dimethylflavone5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-4-one5-Hydroxy-7-methoxy-6,8-di-C-methylflavoneCHEMBL511625-hydroxy-7-methoxy-6,8-dimethyl-2-phenylchromen-4-oneDTXSID40327283
Molecular Weight
296.3 g/mol
Molecular Formula
C18H16O4
Molecular Formula
C18H16O4
Num Rotatable Bonds
2