Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24651
- Core Entity Id
- 30593
- Source Entity Count
- 1
- Preferred Name
- Limonianin
- Name En
- Pubchem Id
- 14162621
- Smiles Canonical
- CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C
- Molecular Formula
- C20H16O5
- Molecular Weight
- 336.3430
- Inchikey
- YEUHAZULDUVZLA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H16O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3
- Isomeric Smiles
- CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C
- Cas Id
- 119309-02-3
- Ob Score
- 21.6180
- Mol Logp
- 4.0554
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Limonianin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Limonianin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Limonianin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
119309-02-3
Role
alias
Source
HERB_v2
Preferred
No
Name
119309-02-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one, 9ci
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano(2,3-h)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL465808
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL465808
Role
alias
Source
itcmdb_public
Preferred
No
Name
X9PW4WPE82
Role
alias
Source
HERB_v2
Preferred
No
Name
X9PW4WPE82
Role
alias
Source
itcmdb_public
Preferred
No
Name
atalantoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
atalantoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
starbld0000825
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0000825
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
119309-02-35-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one, 9ci5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano(2,3-h)chromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-oneCHEMBL465808X9PW4WPE82atalantoflavonestarbld0000825
Cross References
Trusted external identifiers retained for this final record.
Cas
119309-02-3
Herb
HBIN033252HBIN017266
Npass
NPC293852
Tcmid
1956
Tcmsp
MOL012710
Sym Map
SMIT13444
Pub Chem
14162621
Tcmbank
TCMBANKIN059485
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H16O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3
Mol Wt
336.343
Cas Id
119309-02-3
Smiles
CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C
Mol Log P
4.055400000000003
Version
v1,v2
In Ch Ikey
YEUHAZULDUVZLA-UHFFFAOYSA-N
Ob Score
21.61821.61822338
Suppress
0
Num Hdonors
2
Drug Likeness
0.7
Num Hacceptors
5
Isomeric Smiles
CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C
Molecule Weight
336.36
Canonical Smiles
CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C
Herb Alias Names
atalantoflavone119309-02-35-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano(2,3-h)chromen-4-one5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one, 9cistarbld0000825X9PW4WPE82CHEMBL465808
Molecular Weight
336.3 g/mol
Molecular Formula
C20H16O5
Molecular Formula
C20H16O5
Num Rotatable Bonds
1