Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33054
- Core Entity Id
- 39933
- Source Entity Count
- 1
- Preferred Name
- Semilicoisoflavone b
- Name En
- Pubchem Id
- 5481948
- Smiles Canonical
- CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C
- Molecular Formula
- C20H16O6
- Molecular Weight
- 352.3420
- Inchikey
- LWZACZCRAUQSLH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3
- Isomeric Smiles
- CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C
- Cas Id
- 129280-33-7
- Ob Score
- 48.7776
- Mol Logp
- 3.7610
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Semilicoisoflavone B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Semilicoisoflavone B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Semilicoisoflavone B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Semilicoisoflavone B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Semilicoisoflavone b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Semilicoisoflavone b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
豆科
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Glycyrrhiza sp. (Fabaceae)
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
129280-33-7
Role
alias
Source
HERB_v2
Preferred
No
Name
129280-33-7
Role
alias
Source
TCMBank
Preferred
No
Name
129280-33-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-3-(8-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-3-(8-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-(3,6')bi(1-benzopyranyl)-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-(3,6')bi(1-benzopyranyl)-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-(3,6')bi(1-benzopyranyl)-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-6-chromenyl)-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromone
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AIDS095919
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:69093
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:69093
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60156133
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60156133
Role
alias
Source
HERB_v2
Preferred
No
Name
SemilicoisoflavoneB
Role
alias
Source
itcmdb_public
Preferred
No
Name
SemilicoisoflavoneB
Role
alias
Source
HERB_v2
Preferred
No
Name
T9TP371NFX
Role
alias
Source
itcmdb_public
Preferred
No
Name
T9TP371NFX
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-T9TP371NFX
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-T9TP371NFX
Role
alias
Source
HERB_v2
Preferred
No
Name
semilicoisoflavone b
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
豆科Glycyrrhiza sp. (Fabaceae)129280-33-74H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-3-(8-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-(3,6')bi(1-benzopyranyl)-4-one5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-6-chromenyl)-4-chromenone5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromone5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-oneAIDS095919CHEBI:69093DTXSID60156133SemilicoisoflavoneBT9TP371NFXUNII-T9TP371NFX
Cross References
Trusted external identifiers retained for this final record.
Cas
129280-33-7
Herb
HBIN043672
Npass
NPC74178
Tcmid
19680
Tcmsp
MOL004827
Sym Map
SMIT06676
Pub Chem
5481948
Tcmbank
TCMBANKIN047231
Etcm Ingredient
Semilicoisoflavone B
Itcmdb Generated
ITX-INGREDIENT-F4CDDADA7484
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3
Mol Wt
352.3420000000001
Cas Id
129280-33-7
Mol Log P
3.761000000000002
Version
v1,v2
In Ch Ikey
LWZACZCRAUQSLH-UHFFFAOYSA-N
Ob Score
48.7775519448.77755248.778
Suppress
0
Tcm Name
豆科
Tcm Name2
Glycyrrhiza sp. (Fabaceae)
Mol2 Path
/TCM_database/2007_3d_all/19695.mol2
Reference
660, 2431
Num Hdonors
3
Drug Likeness
0.616
Num Hacceptors
6
Isomeric Smiles
CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C
Molecule Weight
352.36
Canonical Smiles
CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C
Herb Alias Names
129280-33-7UNII-T9TP371NFXT9TP371NFXCHEBI:690935,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-3-(8-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-DTXSID601561335,7,8'-Trihydroxy-2',2'-dimethyl-2'H-(3,6')bi(1-benzopyranyl)-4-oneSemilicoisoflavoneB
Molecular Weight
352.090
Molecular Weight
352.34
Molecular Formula
C20H16O6
Molecular Formula
C20H16O6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.913
Quantitative Estimate Of Drug Likeness（Qed）
0.616