Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11871
- Core Entity Id
- 16361
- Source Entity Count
- 1
- Preferred Name
- Avenalumin i
- Name En
- Pubchem Id
- 5281157
- Smiles Canonical
- C1=CC(=O)C=CC1=CC=C2NC3=C(C=C(C=C3)O)C(=O)O2
- Molecular Formula
- C16H13NO5
- Molecular Weight
- 299.2820
- Inchikey
- QGUMNWHANDITDB-FPYGCLRLSA-N
- Inchi
- InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-7-6-12(19)9-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+
- Isomeric Smiles
- C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.4479
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Avenalumin I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Avenalumin i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Avenalumin i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
avenalumin i
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(Z)-N-Coumaroyl-5-hydroxyanthranilic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-N-Coumaroyl-5-hydroxyanthranilic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
108605-70-5
Role
alias
Source
HERB_v2
Preferred
No
Name
108605-70-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Avenanthramide 2P
Role
alias
Source
itcmdb_public
Preferred
No
Name
Avenanthramide 2P
Role
alias
Source
HERB_v2
Preferred
No
Name
Avenanthramide A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Avenanthramide A
Role
alias
Source
HERB_v2
Preferred
No
Name
Avenanthramide BP
Role
alias
Source
HERB_v2
Preferred
No
Name
Avenanthramide BP
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, 5-hydroxy-2-(((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)amino)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 5-hydroxy-2-(((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)amino)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
G1I8LE060C
Role
alias
Source
itcmdb_public
Preferred
No
Name
G1I8LE060C
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-G1I8LE060C
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-G1I8LE060C
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Z)-N-Coumaroyl-5-hydroxyanthranilic acid108605-70-55-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acidAvenanthramide 2PAvenanthramide AAvenanthramide BPBenzoic acid, 5-hydroxy-2-(((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)amino)-G1I8LE060CUNII-G1I8LE060C
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017401
Npass
NPC4294
Tcmid
2033
Pub Chem
5281157
Tcmbank
TCMBANKIN007309
Etcm Ingredient
Avenalumin I
Itcmdb Generated
ITX-INGREDIENT-DD4BEE8CBB5A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-7-6-12(19)9-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+
Mol Wt
299.282
Smiles
C1=CC(=O)C=CC1=CC=C2NC3=C(C=C(C=C3)O)C(=O)O2
Mol Log P
2.447900000000001
In Ch Ikey
QGUMNWHANDITDB-FPYGCLRLSA-N
Num Hdonors
4
Drug Likeness
0.512
Num Hacceptors
4
Isomeric Smiles
C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O
Canonical Smiles
C1=CC(=CC=C1C=CC(=O)NC2=C(C=C(C=C2)O)C(=O)O)O
Herb Alias Names
Avenanthramide A108605-70-5Avenanthramide BPAvenanthramide 2PUNII-G1I8LE060CG1I8LE060CBenzoic acid, 5-hydroxy-2-(((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)amino)-5-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acidBenzoic acid, 5-hydroxy-2-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]-(Z)-N-Coumaroyl-5-hydroxyanthranilic acid
Molecular Weight
281.070
Molecular Formula
C16H11NO4
Molecular Formula
C16H11NO4
Molecular Formula
C16H13NO5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.634
Quantitative Estimate Of Drug Likeness（Qed）
0.754