Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29511
- Core Entity Id
- 35984
- Source Entity Count
- 1
- Preferred Name
- Persicarin
- Name En
- Pubchem Id
- 5487766
- Smiles Canonical
- COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O
- Molecular Formula
- C16H12O10S
- Molecular Weight
- 396.3290
- Inchikey
- CZFNXFXZXWDYMZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O10S/c1-24-11-4-7(2-3-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15/h2-6,17-19H,1H3,(H,21,22,23)
- Isomeric Smiles
- COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7670
- Num H Donors
- 4
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Persicarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Persicarin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Persicarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
persicarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
549-31-5
Role
alias
Source
HERB_v2
Preferred
No
Name
549-31-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40203391
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40203391
Role
alias
Source
HERB_v2
Preferred
No
Name
HUF6GW9HDB
Role
alias
Source
HERB_v2
Preferred
No
Name
HUF6GW9HDB
Role
alias
Source
itcmdb_public
Preferred
No
Name
ISORHAMNETIN 3-MONOSULFATE
Role
alias
Source
HERB_v2
Preferred
No
Name
ISORHAMNETIN 3-MONOSULFATE
Role
alias
Source
itcmdb_public
Preferred
No
Name
ISORHAMNETIN 3-O-SULFATE
Role
alias
Source
HERB_v2
Preferred
No
Name
ISORHAMNETIN 3-O-SULFATE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isohamnetin 3-monosulfate
Role
alias
Source
HERB_v2
Preferred
No
Name
Isohamnetin 3-monosulfate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isohamnetin 3-sulfate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isohamnetin 3-sulfate
Role
alias
Source
HERB_v2
Preferred
No
Name
Percicarin
Role
alias
Source
HERB_v2
Preferred
No
Name
Percicarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulfate
Role
alias
Source
HERB_v2
Preferred
No
Name
[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulfate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
549-31-5DTXSID40203391HUF6GW9HDBISORHAMNETIN 3-MONOSULFATEISORHAMNETIN 3-O-SULFATEIsohamnetin 3-monosulfateIsohamnetin 3-sulfatePercicarin[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulfate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039323
Tcmid
16977
Pub Chem
5487766
Tcmbank
TCMBANKIN000149
Etcm Ingredient
Persicarin
Itcmdb Generated
ITX-INGREDIENT-B47FFA889346
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12O10S/c1-24-11-4-7(2-3-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15/h2-6,17-19H,1H3,(H,21,22,23)
Mol Wt
396.329
Smiles
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O
Mol Log P
1.767
In Ch Ikey
CZFNXFXZXWDYMZ-UHFFFAOYSA-N
Num Hdonors
4
Drug Likeness
0.478
Num Hacceptors
9
Isomeric Smiles
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O
Canonical Smiles
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O
Herb Alias Names
Isohamnetin 3-sulfateIsohamnetin 3-monosulfate549-31-5HUF6GW9HDB[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulfateISORHAMNETIN 3-O-SULFATEDTXSID40203391ISORHAMNETIN 3-MONOSULFATEPercicarin
Molecular Weight
396.020
Molecular Weight
396.3 g/mol
Molecular Formula
C16H12O10S
Molecular Formula
C16H12O10S
Molecular Formula
C16H12O10S
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.921
Quantitative Estimate Of Drug Likeness（Qed）
0.478