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
- 30088
- Core Entity Id
- 36629
- Source Entity Count
- 1
- Preferred Name
- Piperolactam c
- Name En
- Pubchem Id
- 10881419
- Smiles Canonical
- COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)OC)OC
- Molecular Formula
- C18H15NO4
- Molecular Weight
- 309.3210
- Inchikey
- GYYIMUXZCUHECT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H15NO4/c1-21-15-12-10-7-5-4-6-9(10)8-11-13(12)14(18(20)19-11)16(22-2)17(15)23-3/h4-8H,1-3H3,(H,19,20)
- Isomeric Smiles
- COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)OC)OC
- Cas Id
- 116064-76-7
- Ob Score
- Mol Logp
- 3.5845
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Piperolactam C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Piperolactam C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Piperolactam c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Piperolactam c
Role
preferred
Source
HERB_v2
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
Name
1,2,3-Trimethoxydibenz[cd,f]indol-4(5H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2,3-Trimethoxydibenz[cd,f]indol-4(5H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
116064-76-7
Role
alias
Source
HERB_v2
Preferred
No
Name
116064-76-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
13,14,15-trimethoxy-10-azatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
13,14,15-trimethoxy-10-azatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174960
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174960
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL250441
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL250441
Role
alias
Source
HERB_v2
Preferred
No
Name
O-Methylpiperolactam B
Role
alias
Source
itcmdb_public
Preferred
No
Name
O-Methylpiperolactam B
Role
alias
Source
HERB_v2
Preferred
No
Name
Piperolactam B methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Piperolactam B methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
RDL2GAQ3BL
Role
alias
Source
HERB_v2
Preferred
No
Name
RDL2GAQ3BL
Role
alias
Source
itcmdb_public
Preferred
No
Name
piperolactam e
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
苎叶蒟ZHU YE JUFalsenettleleaf Pepper1,2,3-Trimethoxydibenz[cd,f]indol-4(5H)-one116064-76-713,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one13,14,15-trimethoxy-10-azatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-11-oneCHEBI:174960CHEMBL250441O-Methylpiperolactam BPiperolactam B methyl etherRDL2GAQ3BLpiperolactam e
Cross References
Trusted external identifiers retained for this final record.
Cas
116064-76-7
Herb
HBIN040091HBIN040093
Npass
NPC276060
Tcmid
1745117453
Tcm Id
1610
Pub Chem
10881419
Tcmbank
TCMBANKIN039607TCMBANKIN061452
Etcm Ingredient
Piperolactam C
Itcmdb Generated
ITX-INGREDIENT-FCF9E2FB5AFF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H15NO4/c1-21-15-12-10-7-5-4-6-9(10)8-11-13(12)14(18(20)19-11)16(22-2)17(15)23-3/h4-8H,1-3H3,(H,19,20)
Mol Wt
309.3210000000001
Cas Id
116064-76-7
Smiles
COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)OC)OC
Mol Log P
3.584500000000002
In Ch Ikey
GYYIMUXZCUHECT-UHFFFAOYSA-N
Tcm Name
苎叶蒟
Tcm Name2
ZHU YE JU
Mol2 Path
/TCM_database/2007_3d_all/17465.mol2
Reference
2713, 4938
Num Hdonors
1
Tcm Name En
Falsenettleleaf Pepper
Drug Likeness
0.751
Num Hacceptors
4
Isomeric Smiles
COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)OC)OC
Canonical Smiles
COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)OC)OC
Herb Alias Names
116064-76-713,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one1,2,3-Trimethoxydibenz[cd,f]indol-4(5H)-one13,14,15-trimethoxy-10-azatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-11-oneO-Methylpiperolactam BRDL2GAQ3BLPiperolactam B methyl etherCHEMBL250441CHEBI:174960
Molecular Weight
309.100
Molecular Weight
309.32
Molecular Formula
C18H15NO4
Molecular Formula
C18H15NO4
Molecular Formula
C18H15NO4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.133
Quantitative Estimate Of Drug Likeness（Qed）
0.751