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: 6Ingredient: 1Target: 12Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22280
- Core Entity Id
- 27948
- Source Entity Count
- 1
- Preferred Name
- Irisolidone
- Name En
- Pubchem Id
- 5281781
- Smiles Canonical
- COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
- Molecular Formula
- C17H14O6
- Molecular Weight
- 314.2930
- Inchikey
- VOOFPOMXNLNEOF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)11-8-23-13-7-12(18)17(22-2)16(20)14(13)15(11)19/h3-8,18,20H,1-2H3
- Isomeric Smiles
- COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
- Cas Id
- 2345-17-7
- Ob Score
- 37.7798
- Mol Logp
- 2.8884
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Irisolidone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Irisolidone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Irisolidone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Irisolidone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Irisolidone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
irisolidone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
081ORX70ZR
Role
alias
Source
HERB_v2
Preferred
No
Name
081ORX70ZR
Role
alias
Source
itcmdb_public
Preferred
No
Name
2345-17-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
2345-17-7
Role
alias
Source
HERB_v2
Preferred
No
Name
2345-17-7
Role
alias
Source
TCMBank
Preferred
No
Name
4'-Methoxytectorigenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-Methoxytectorigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-O-Methoxytectorigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-O-Methoxytectorigenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-O-Methyltectorigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-O-Methyltectorigenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromone
Role
alias
Source
TCMBank
Preferred
No
Name
C10471
Role
alias
Source
TCMBank
Preferred
No
Name
Irisolidone
Role
alias
Source
TCMBank
Preferred
No
Name
Isoflavone, 5,7-dihydroxy-4',6-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoflavone, 5,7-dihydroxy-4',6-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-081ORX70ZR
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-081ORX70ZR
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
081ORX70ZR2345-17-74'-Methoxytectorigenin4'-O-Methoxytectorigenin4'-O-Methyltectorigenin4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-4-chromenone5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromoneC10471Isoflavone, 5,7-dihydroxy-4',6-dimethoxy-UNII-081ORX70ZR
Cross References
Trusted external identifiers retained for this final record.
Cas
2345-17-7
Hit
C0756
Herb
HBIN030318
Npass
NPC35763
Tcmid
11168
Tcmsp
MOL005916
Sym Map
SMIT07608
Tcm Id
3564
Pub Chem
5281781
Tcmbank
TCMBANKIN044183
Etcm Ingredient
Irisolidone
Itcmdb Generated
ITX-INGREDIENT-232D06219A15
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)11-8-23-13-7-12(18)17(22-2)16(20)14(13)15(11)19/h3-8,18,20H,1-2H3
Mol Wt
314.293
Cas Id
2345-17-7
Smiles
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
Mol Log P
2.888400000000002
Version
v1,v2
In Ch Ikey
VOOFPOMXNLNEOF-UHFFFAOYSA-N
Ob Score
37.7798337.7798300537.78
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/11171.mol2
Reference
5347
Num Hdonors
2
Drug Likeness
0.772
Num Hacceptors
6
Isomeric Smiles
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
Molecule Weight
314.31
Canonical Smiles
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
Herb Alias Names
2345-17-74'-O-Methyltectorigenin4'-Methoxytectorigenin5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one4'-O-MethoxytectorigeninUNII-081ORX70ZR4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-081ORX70ZRIsoflavone, 5,7-dihydroxy-4',6-dimethoxy-
Molecular Weight
314.080
Molecular Weight
314.29
Molecular Formula
C17H14O6
Molecular Formula
C17H14O6
Molecular Formula
C17H14O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.084
Quantitative Estimate Of Drug Likeness（Qed）
0.772