Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2390
- Core Entity Id
- 5844
- Source Entity Count
- 1
- Preferred Name
- 2′-o-methylabronisoflavone
- Name En
- Pubchem Id
- 5482494
- Smiles Canonical
- CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=CC=C3OC)O
- Molecular Formula
- C17H14O5
- Molecular Weight
- 298.2940
- Inchikey
- MNTFQBBYPKFUJE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O5/c1-9-12(18)7-14-15(16(9)19)17(20)11(8-22-14)10-5-3-4-6-13(10)21-2/h3-8,18-19H,1-2H3
- Isomeric Smiles
- CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=CC=C3OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1882
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7590
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2′-O-Methylabronisoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2′-O-Methylabronisoflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2′-o-methylabronisoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2′-o-methylabronisoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
紫茉莉根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI MO LI GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Four-o’clock Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2'-O-methylabronisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
2'-O-methylabronisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dihydroxy-3-(2-methoxyphenyl)-6-methylchromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-3-(2-methoxyphenyl)-6-methyl-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL496643
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL496643
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16226494
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16226494
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
紫茉莉根ZI MO LI GENCommon Four-o’clock Root2'-O-methylabronisoflavone5,7-Dihydroxy-3-(2-methoxyphenyl)-6-methylchromen-4-one5,7-dihydroxy-3-(2-methoxyphenyl)-6-methyl-chromen-4-oneCHEMBL496643SCHEMBL16226494
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006250
Npass
NPC101366
Tcmid
14102
Pub Chem
5482494
Tcmbank
TCMBANKIN050232
Etcm Ingredient
2′-O-Methylabronisoflavone
Itcmdb Generated
ITX-INGREDIENT-51E3EA5B8BBC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O5/c1-9-12(18)7-14-15(16(9)19)17(20)11(8-22-14)10-5-3-4-6-13(10)21-2/h3-8,18-19H,1-2H3
Mol Wt
298.294
Mol Log P
3.188220000000002
In Ch Ikey
MNTFQBBYPKFUJE-UHFFFAOYSA-N
Tcm Name
紫茉莉根
Tcm Name2
ZI MO LI GEN
Mol2 Path
/TCM_database/2007_3d_all/14109.mol2
Reference
3043
Num Hdonors
2
Tcm Name En
Common Four-o’clock Root
Drug Likeness
0.759
Num Hacceptors
5
Isomeric Smiles
CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=CC=C3OC)O
Canonical Smiles
CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=CC=C3OC)O
Herb Alias Names
2'-O-methylabronisoflavone5,7-Dihydroxy-3-(2-methoxyphenyl)-6-methylchromen-4-oneCHEMBL496643SCHEMBL162264945,7-dihydroxy-3-(2-methoxyphenyl)-6-methyl-chromen-4-one
Molecular Weight
298.080
Molecular Formula
C17H14O5
Molecular Formula
C17H14O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.198
Quantitative Estimate Of Drug Likeness（Qed）
0.759