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
- 15205
- Core Entity Id
- 20067
- Source Entity Count
- 1
- Preferred Name
- Coriarin
- Name En
- Pubchem Id
- 11243352
- Smiles Canonical
- CC(=C)C1C(C2C3(C4(CO4)C5C(C3(C1C(=O)O2)O)O5)C)O
- Molecular Formula
- C15H18O6
- Molecular Weight
- 294.3030
- Inchikey
- UHEIVXJZYBLWCX-ULZPOIKGSA-N
- Inchi
- InChI=1S/C15H18O6/c1-5(2)6-7-12(17)21-9(8(6)16)13(3)14(4-19-14)10-11(20-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1
- Isomeric Smiles
- CC(=C)[C@@H]1[C@H]([C@@H]2[C@]3([C@@]4(CO4)[C@H]5[C@@H]([C@]3([C@H]1C(=O)O2)O)O5)C)O
- Cas Id
- Ob Score
- Mol Logp
- -0.6178
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Coriarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Coriarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Coriarin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Coriarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
日本马桑
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN MA SANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Coriaria*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本马桑RI BEN MA SANGJapanese Coriaria*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021471
Npass
NPC230457
Tcmid
4054
Pub Chem
11243352
Tcmbank
TCMBANKIN037093
Etcm Ingredient
Coriarin
Itcmdb Generated
ITX-INGREDIENT-13556AC2A53B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O6/c1-5(2)6-7-12(17)21-9(8(6)16)13(3)14(4-19-14)10-11(20-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1
Mol Wt
294.3030000000001
Mol Log P
-0.6178000000000003
In Ch Ikey
UHEIVXJZYBLWCX-ULZPOIKGSA-N
Tcm Name
日本马桑
Tcm Name2
RI BEN MA SANG
Mol2 Path
/TCM_database/2007_3d_all/04054.mol2
Reference
4497
Num Hdonors
2
Tcm Name En
Japanese Coriaria*
Drug Likeness
0.38
Num Hacceptors
6
Isomeric Smiles
CC(=C)[C@@H]1[C@H]([C@@H]2[C@]3([C@@]4(CO4)[C@H]5[C@@H]([C@]3([C@H]1C(=O)O2)O)O5)C)O
Canonical Smiles
CC(=C)C1C(C2C3(C4(CO4)C5C(C3(C1C(=O)O2)O)O5)C)O
Molecular Weight
294.110
Molecular Weight
294.3 g/mol
Molecular Formula
C15H18O6
Molecular Formula
C15H18O6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.190
Quantitative Estimate Of Drug Likeness（Qed）
0.380