Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25410
- Core Entity Id
- 31437
- Source Entity Count
- 1
- Preferred Name
- Maesopsin
- Name En
- Pubchem Id
- 160803
- Smiles Canonical
- C1=CC(=CC=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
- Molecular Formula
- C15H12O6
- Molecular Weight
- 288.2550
- Inchikey
- LOFYFDPXORJJEE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2
- Isomeric Smiles
- C1=CC(=CC=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.3098
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Maesopsin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Maesopsin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Maesopsin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Maesopsin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
脏辫大黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZANG BIAN DA HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Austral Rhubarb
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3(2H)-Benzofuranone, 2,4,6-trihydroxy-2-((4-hydroxyphenyl)methyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3(2H)-Benzofuranone, 2,4,6-trihydroxy-2-((4-hydroxyphenyl)methyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5989-16-2
Role
alias
Source
HERB_v2
Preferred
No
Name
5989-16-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:181507
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:181507
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL462109
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL462109
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90975298
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90975298
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mesopsin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mesopsin
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9957960
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9957960
Role
alias
Source
itcmdb_public
Preferred
No
Name
maesopsin
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
脏辫大黄ZANG BIAN DA HUANGAustral Rhubarb2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one3(2H)-Benzofuranone, 2,4,6-trihydroxy-2-((4-hydroxyphenyl)methyl)-5989-16-2CHEBI:181507CHEMBL462109DTXSID90975298MesopsinSCHEMBL9957960
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034192
Npass
NPC310128
Tcmid
13354
Tcm Id
20357
Pub Chem
160803
Tcmbank
TCMBANKIN049283
Etcm Ingredient
Maesopsin
Itcmdb Generated
ITX-INGREDIENT-E8E6456E509E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2
Mol Wt
288.255
Mol Log P
1.3098
In Ch Ikey
LOFYFDPXORJJEE-UHFFFAOYSA-N
Tcm Name
脏辫大黄
Tcm Name2
ZANG BIAN DA HUANG
Mol2 Path
/TCM_database/2007_3d_all/13361.mol2
Reference
4711, 4807
Num Hdonors
4
Tcm Name En
Austral Rhubarb
Drug Likeness
0.663
Num Hacceptors
6
Isomeric Smiles
C1=CC(=CC=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Herb Alias Names
5989-16-2Mesopsin2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one3(2H)-Benzofuranone, 2,4,6-trihydroxy-2-((4-hydroxyphenyl)methyl)-2,4,6-trihydroxy-2-((4-hydroxyphenyl)methyl)-1-benzofuran-3-oneCHEMBL462109SCHEMBL9957960DTXSID90975298CHEBI:181507
Molecular Weight
288.060
Molecular Weight
288.25 g/mol
Molecular Formula
C15H12O6
Molecular Formula
C15H12O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.027
Quantitative Estimate Of Drug Likeness（Qed）
0.663