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
- 14831
- Core Entity Id
- 19651
- Source Entity Count
- 1
- Preferred Name
- Clausine u
- Name En
- Pubchem Id
- 15550285
- Smiles Canonical
- CC(C)(C(CC1=C(C(=CC2=C1NC3=C2C=CC(=C3)O)C=O)O)O)O
- Molecular Formula
- C18H19NO5
- Molecular Weight
- 329.3520
- Inchikey
- JHHGPIIJIJILMJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H19NO5/c1-18(2,24)15(22)7-13-16-12(5-9(8-20)17(13)23)11-4-3-10(21)6-14(11)19-16/h3-6,8,15,19,21-24H,7H2,1-2H3
- Isomeric Smiles
- CC(C)(C(CC1=C(C(=CC2=C1NC3=C2C=CC(=C3)O)C=O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.2191
- Num H Donors
- 5
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Clausine U
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Clausine U
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Clausine u
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Clausine u
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
山黄皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAN HUANG PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hollowed Wampee
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
山黄皮SHAN HUANG PIHollowed Wampee
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021057
Npass
NPC165790
Tcmid
3807
Pub Chem
15550285
Tcmbank
TCMBANKIN044672
Etcm Ingredient
Clausine U
Itcmdb Generated
ITX-INGREDIENT-C0A47B8B4BFA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H19NO5/c1-18(2,24)15(22)7-13-16-12(5-9(8-20)17(13)23)11-4-3-10(21)6-14(11)19-16/h3-6,8,15,19,21-24H,7H2,1-2H3
Mol Wt
329.352
Mol Log P
2.219100000000001
In Ch Ikey
JHHGPIIJIJILMJ-UHFFFAOYSA-N
Tcm Name
山黄皮
Tcm Name2
SHAN HUANG PI
Mol2 Path
/TCM_database/2007_3d_all/03807.mol2
Reference
2368
Num Hdonors
5
Tcm Name En
Hollowed Wampee
Drug Likeness
0.471
Num Hacceptors
5
Isomeric Smiles
CC(C)(C(CC1=C(C(=CC2=C1NC3=C2C=CC(=C3)O)C=O)O)O)O
Canonical Smiles
CC(C)(C(CC1=C(C(=CC2=C1NC3=C2C=CC(=C3)O)C=O)O)O)O
Molecular Weight
329.130
Molecular Weight
329.3 g/mol
Molecular Formula
C18H19NO5
Molecular Formula
C18H19NO5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.626
Quantitative Estimate Of Drug Likeness（Qed）
0.503