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
- 30087
- Core Entity Id
- 36628
- Source Entity Count
- 1
- Preferred Name
- Piperolactam b
- Name En
- Pubchem Id
- 10447197
- Smiles Canonical
- COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)O)OC
- Molecular Formula
- C17H13NO4
- Molecular Weight
- 295.2940
- Inchikey
- LYAWRCUCLSFMNJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H13NO4/c1-21-15-11-9-6-4-3-5-8(9)7-10-12(11)13(17(20)18-10)14(19)16(15)22-2/h3-7,19H,1-2H3,(H,18,20)
- Isomeric Smiles
- COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.2815
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Piperolactam B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Piperolactam B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Piperolactam b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Piperolactam b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
苎叶蒟
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHU YE JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Falsenettleleaf Pepper
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
苎叶蒟ZHU YE JUFalsenettleleaf Pepper
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040090
Npass
NPC240847
Tcmid
17450
Pub Chem
10447197
Tcmbank
TCMBANKIN040140
Etcm Ingredient
Piperolactam B
Itcmdb Generated
ITX-INGREDIENT-FBB2C59DD436
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H13NO4/c1-21-15-11-9-6-4-3-5-8(9)7-10-12(11)13(17(20)18-10)14(19)16(15)22-2/h3-7,19H,1-2H3,(H,18,20)
Mol Wt
295.294
Mol Log P
3.281500000000002
In Ch Ikey
LYAWRCUCLSFMNJ-UHFFFAOYSA-N
Tcm Name
苎叶蒟
Tcm Name2
ZHU YE JU
Mol2 Path
/TCM_database/2007_3d_all/17464.mol2
Reference
1521, 2713, 3238, 4938
Num Hdonors
2
Tcm Name En
Falsenettleleaf Pepper
Drug Likeness
0.712
Num Hacceptors
4
Isomeric Smiles
COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)O)OC
Canonical Smiles
COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)O)OC
Molecular Weight
295.080
Molecular Formula
C17H13NO4
Molecular Formula
C17H13NO4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.333
Quantitative Estimate Of Drug Likeness（Qed）
0.712