Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27949
- Core Entity Id
- 34251
- Source Entity Count
- 1
- Preferred Name
- Nortangeretin
- Name En
- Pubchem Id
- 96506
- Smiles Canonical
- C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O
- Molecular Formula
- C15H10O7
- Molecular Weight
- 302.2380
- Inchikey
- SPZXXUUDYMHBSG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
- Isomeric Smiles
- C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O
- Cas Id
- 577-26-4
- Ob Score
- 17.9036
- Mol Logp
- 1.9880
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nortangeretin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Nortangeretin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Nortangeretin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Nortangeretin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nortangeretin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Nortangeretin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,8,4'-Pentahydroxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7,8,4'-Pentahydroxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,8,4'-Pentahydroxyflavone
Role
alias
Source
TCMBank
Preferred
No
Name
5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromone
Role
alias
Source
TCMBank
Preferred
No
Name
577-26-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
577-26-4
Role
alias
Source
HERB_v2
Preferred
No
Name
577-26-4
Role
alias
Source
TCMBank
Preferred
No
Name
C15031
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:79553
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:79553
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMG443BS12
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMG443BS12
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000736839
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000736839
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000736839
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-76988
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-76988
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC76988
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000528344
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000528344
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000528344
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-5,6,7,8,4'-Pentahydroxyflavone5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4-chromenone5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromone577-26-4C15031CHEBI:79553LMG443BS12MLS000736839NSC-76988NSC76988SMR000528344
Cross References
Trusted external identifiers retained for this final record.
Cas
577-26-4
Herb
HBIN037389
Npass
NPC216318
Tcmsp
MOL004939
Sym Map
SMIT06772
Pub Chem
96506
Tcmbank
TCMBANKIN027275
Etcm Ingredient
Nortangeretin
Itcmdb Generated
ITX-INGREDIENT-D035FE1A66C1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
Mol Wt
302.2379999999999
Cas Id
577-26-4
Smiles
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O
Mol Log P
1.988
Version
v1,v2
In Ch Ikey
SPZXXUUDYMHBSG-UHFFFAOYSA-N
Ob Score
17.903584917.90358517.904
Suppress
0
Num Hdonors
5
Drug Likeness
0.343
Num Hacceptors
7
Isomeric Smiles
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O
Molecule Weight
302.25
Canonical Smiles
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O
Herb Alias Names
5,6,7,8,4'-Pentahydroxyflavone577-26-4MLS0007368394H-1-Benzopyran-4-one, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-LMG443BS12CHEBI:79553NSC-769885,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMR000528344
Molecular Weight
302.040
Molecular Weight
302.24
Molecular Formula
C15H10O7
Molecular Formula
C15H10O7
Molecular Formula
C15H10O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.032
Quantitative Estimate Of Drug Likeness（Qed）
0.343