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
- 30924
- Core Entity Id
- 37556
- Source Entity Count
- 1
- Preferred Name
- Psiloticacid
- Name En
- Pubchem Id
- 5372825
- Smiles Canonical
- C1=CC(=CC=C1C=CC=CC(=O)O)O
- Molecular Formula
- C11H10O3
- Molecular Weight
- 190.1980
- Inchikey
- CYYTUYSFBHDJRH-TZFCGSKZSA-N
- Inchi
- InChI=1S/C11H10O3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8,12H,(H,13,14)/b3-1+,4-2-
- Isomeric Smiles
- C1=CC(=CC=C1/C=C/C=C\C(=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.0462
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Psiloticacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Psiloticacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
psiloticacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2Z,4E)-5-(4-Hydroxyphenyl)-2,4-pentadienoic acid #
Role
alias
Source
HERB_v2
Preferred
No
Name
(2Z,4E)-5-(4-Hydroxyphenyl)-2,4-pentadienoic acid #
Role
alias
Source
itcmdb_public
Preferred
No
Name
2Z,4E-5-(4-Hydroxyphenyl)penta-2,4-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2Z,4E-5-(4-Hydroxyphenyl)penta-2,4-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CYYTUYSFBHDJRH-TZFCGSKZSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
CYYTUYSFBHDJRH-TZFCGSKZSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2Z,4E)-5-(4-Hydroxyphenyl)-2,4-pentadienoic acid #2Z,4E-5-(4-Hydroxyphenyl)penta-2,4-dienoic acidCYYTUYSFBHDJRH-TZFCGSKZSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041106
Tcmid
18070
Pub Chem
5372825
Tcmbank
TCMBANKIN028516
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H10O3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8,12H,(H,13,14)/b3-1+,4-2-
Mol Wt
190.198
Smiles
C1=CC(=CC=C1C=CC=CC(=O)O)O
Mol Log P
2.046199999999999
In Ch Ikey
CYYTUYSFBHDJRH-TZFCGSKZSA-N
Num Hdonors
2
Drug Likeness
0.566
Num Hacceptors
2
Isomeric Smiles
C1=CC(=CC=C1/C=C/C=C\C(=O)O)O
Canonical Smiles
C1=CC(=CC=C1C=CC=CC(=O)O)O
Herb Alias Names
2Z,4E-5-(4-Hydroxyphenyl)penta-2,4-dienoic acidCYYTUYSFBHDJRH-TZFCGSKZSA-N(2Z,4E)-5-(4-Hydroxyphenyl)-2,4-pentadienoic acid #
Molecular Formula
C11H10O3
Molecular Formula
C11H10O3
Num Rotatable Bonds
3