Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21594
- Core Entity Id
- 27188
- Source Entity Count
- 1
- Preferred Name
- Homoferreirin
- Name En
- Pubchem Id
- 442788
- Smiles Canonical
- COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC
- Molecular Formula
- C17H16O6
- Molecular Weight
- 316.3090
- Inchikey
- LMLDNMHDNFCNCW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3
- Isomeric Smiles
- COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.4739
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.9050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Homoferreirin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Homoferreirin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Homoferreirin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
homoferreirin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-(2,4-DIMETHOXYPHENYL)-5,7-DIHYDROXY-CHROMAN-4-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-DIMETHOXYPHENYL)-5,7-DIHYDROXY-CHROMAN-4-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
482-01-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
482-01-9
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2',4'-dimethoxyisoflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2',4'-dimethoxyisoflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:5754
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:5754
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50331952
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50331952
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0019167
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0019167
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-(2,4-DIMETHOXYPHENYL)-5,7-DIHYDROXY-CHROMAN-4-ONE3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one482-01-95,7-dihydroxy-2',4'-dimethoxyisoflavanoneCHEBI:5754DTXSID50331952starbld0019167
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029493
Npass
NPC156522
Tcmid
9605
Pub Chem
442788
Tcmbank
TCMBANKIN006197
Etcm Ingredient
Homoferreirin
Itcmdb Generated
ITX-INGREDIENT-E69B5DD36557
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3
Mol Wt
316.309
Smiles
COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC
Mol Log P
2.473900000000002
In Ch Ikey
LMLDNMHDNFCNCW-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.905
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC
Canonical Smiles
COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC
Herb Alias Names
482-01-93-(2,4-DIMETHOXYPHENYL)-5,7-DIHYDROXY-CHROMAN-4-ONE3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one3-(2,4-Dimethoxyphenyl)-5,7-dihydroxychroman-4-one5,7-dihydroxy-2',4'-dimethoxyisoflavanone3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-onestarbld0019167CHEBI:5754DTXSID50331952
Molecular Weight
316.090
Molecular Weight
316.3 g/mol
Molecular Formula
C17H16O6
Molecular Formula
C17H16O6
Molecular Formula
C17H16O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.786
Quantitative Estimate Of Drug Likeness（Qed）
0.905