Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 12Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19844
- Core Entity Id
- 25237
- Source Entity Count
- 1
- Preferred Name
- Garbanzol
- Name En
- Pubchem Id
- 3512634
- Smiles Canonical
- C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
- Molecular Formula
- C15H12O5
- Molecular Weight
- 272.2560
- Inchikey
- VRTGGIJPIYOHGT-LSDHHAIUSA-N
- Inchi
- InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15+/m0/s1
- Isomeric Smiles
- C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C=C3)O)O)O
- Cas Id
- 1226-22-8
- Ob Score
- 83.6700
- Mol Logp
- 1.7751
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Garbanzol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Garbanzol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Garbanzol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Garbanzol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Garbanzol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2R,3R)-3,4',7-Trihydroxyflavanone
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2R-trans)-3,4',7-Trihydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R-trans)-3,4',7-Trihydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1226-22-8
Role
alias
Source
HERB_v2
Preferred
No
Name
1226-22-8
Role
alias
Source
TCMBank
Preferred
No
Name
1226-22-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,7,4'-Trihydroxyflavanon
Role
alias
Source
TCMBank
Preferred
No
Name
3,7,4'-Trihydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,7,4'-Trihydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,7,4'-Trihydroxyflavanone
Role
alias
Source
TCMBank
Preferred
No
Name
3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1MR5CU
Role
alias
Source
TCMBank
Preferred
No
Name
C09751
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:27587
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:27587
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL254051
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL254051
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40331820
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40331820
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavanone, 3,4',7-trihydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavanone, 3,4',7-trihydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9663852
Role
alias
Source
TCMBank
Preferred
No
Name
T87V438N7C
Role
alias
Source
HERB_v2
Preferred
No
Name
T87V438N7C
Role
alias
Source
itcmdb_public
Preferred
No
Name
garbanzol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3R)-3,4',7-Trihydroxyflavanone(2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone(2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one(2R-trans)-3,4',7-Trihydroxyflavanone1226-22-83,7,4'-Trihydroxyflavanon3,7,4'-Trihydroxyflavanone3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-AC1MR5CUC09751CHEBI:27587CHEMBL254051DTXSID40331820Flavanone, 3,4',7-trihydroxy-SCHEMBL9663852T87V438N7C
Cross References
Trusted external identifiers retained for this final record.
Cas
1226-22-8
Herb
HBIN027333
Npass
NPC228824
Tcmid
8201
Tcmsp
MOL013305
Sym Map
SMIT13975SMIT15505
Pub Chem
3512634442410
Tcmbank
TCMBANKIN025169
Etcm Ingredient
Garbanzol
Itcmdb Generated
ITX-INGREDIENT-2956B6CD6584
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15+/m0/s1
Mol Wt
272.256
Cas Id
1226-22-8
Smiles
C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
Mol Log P
1.775100000000001
Version
v1,v2
In Ch Ikey
VRTGGIJPIYOHGT-LSDHHAIUSA-N
Ob Score
83.6783.6700445183.670045
Suppress
1
Num Hdonors
3
Drug Likeness
0.736
Num Hacceptors
5
Isomeric Smiles
C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C=C3)O)O)O
Molecule Weight
272.27
Canonical Smiles
C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
Herb Alias Names
1226-22-83,7,4'-TrihydroxyflavanoneCHEBI:27587(2R-trans)-3,4',7-TrihydroxyflavanoneFlavanone, 3,4',7-trihydroxy-T87V438N7C4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-CHEMBL254051DTXSID40331820
Molecular Weight
272.070
Molecular Weight
272.25
Molecule Formula
C15H12O5
Molecular Formula
C15H12O5
Molecular Formula
C15H12O5
Molecular Formula
C15H12O5
Num Rotatable Bonds
1
Link Ingredient Id
13975.0
Fda Maximum Daily Dose (Fdamdd)
0.176
Quantitative Estimate Of Drug Likeness（Qed）
0.737