Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14824
- Core Entity Id
- 19641
- Source Entity Count
- 1
- Preferred Name
- Clausine m
- Name En
- Pubchem Id
- 15550280
- Smiles Canonical
- COC(=O)C1=CC2=C(C=C1)NC3=C2C=CC(=C3)O
- Molecular Formula
- C14H11NO3
- Molecular Weight
- 241.2460
- Inchikey
- DLSYIZRGLJIEKT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H11NO3/c1-18-14(17)8-2-5-12-11(6-8)10-4-3-9(16)7-13(10)15-12/h2-7,15-16H,1H3
- Isomeric Smiles
- COC(=O)C1=CC2=C(C=C1)NC3=C2C=CC(=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8133
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Clausine M
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Clausine M
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Clausine m
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Clausine m
Role
preferred
Source
itcmdb_public
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
Name
CHEMBL2260661
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2260661
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 7-hydroxy-9H-carbazole-3-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 7-hydroxy-9H-carbazole-3-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl 7-hydroxy-9H-carbazole-3-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl 7-hydroxy-9H-carbazole-3-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
山黄皮SHAN HUANG PIHollowed WampeeCHEMBL2260661Methyl 7-hydroxy-9H-carbazole-3-carboxylic acidmethyl 7-hydroxy-9H-carbazole-3-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021050
Npass
NPC39679
Tcmid
3800
Pub Chem
15550280
Tcmbank
TCMBANKIN050199
Etcm Ingredient
Clausine M
Itcmdb Generated
ITX-INGREDIENT-E60675DB15F3
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H11NO3/c1-18-14(17)8-2-5-12-11(6-8)10-4-3-9(16)7-13(10)15-12/h2-7,15-16H,1H3
Mol Wt
241.246
Mol Log P
2.813300000000001
In Ch Ikey
DLSYIZRGLJIEKT-UHFFFAOYSA-N
Tcm Name
山黄皮
Tcm Name2
SHAN HUANG PI
Mol2 Path
/TCM_database/2007_3d_all/03800.mol2
Reference
2368
Num Hdonors
2
Tcm Name En
Hollowed Wampee
Drug Likeness
0.644
Num Hacceptors
3
Isomeric Smiles
COC(=O)C1=CC2=C(C=C1)NC3=C2C=CC(=C3)O
Canonical Smiles
COC(=O)C1=CC2=C(C=C1)NC3=C2C=CC(=C3)O
Herb Alias Names
methyl 7-hydroxy-9H-carbazole-3-carboxylateCHEMBL2260661Methyl 7-hydroxy-9H-carbazole-3-carboxylic acid
Molecular Weight
241.070
Molecular Weight
241.24 g/mol
Molecular Formula
C14H11NO3
Molecular Formula
C14H11NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.917
Quantitative Estimate Of Drug Likeness（Qed）
0.644