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
- 30089
- Core Entity Id
- 36630
- Source Entity Count
- 1
- Preferred Name
- Piperolactam d
- Name En
- Pubchem Id
- 14039008
- Smiles Canonical
- COC1=C2C3=C(C4=CC=CC=C4C=C3NC2=O)C(=C1OC)O
- Molecular Formula
- C17H13NO4
- Molecular Weight
- 295.2940
- Inchikey
- PHKYZFGDNGACRM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H13NO4/c1-21-15-13-12-10(18-17(13)20)7-8-5-3-4-6-9(8)11(12)14(19)16(15)22-2/h3-7,19H,1-2H3,(H,18,20)
- Isomeric Smiles
- COC1=C2C3=C(C4=CC=CC=C4C=C3NC2=O)C(=C1OC)O
- Cas Id
- 116084-93-6
- 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 D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Piperolactam D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Piperolactam d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Piperolactam d
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
Name
1-Hydroxy-2,3-dimethoxydibenz[cd,f]indol-4(5H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hydroxy-2,3-dimethoxydibenz[cd,f]indol-4(5H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Hydroxy-2,3-dimethoxydibenz[cd,f]indol-4(5H)-one, 9CI
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hydroxy-2,3-dimethoxydibenz[cd,f]indol-4(5H)-one, 9CI
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-Amino-2,3-dimethoxy-4-hydroxyphenanthrene-1-carboxylic acid lactam
Role
alias
Source
HERB_v2
Preferred
No
Name
10-Amino-2,3-dimethoxy-4-hydroxyphenanthrene-1-carboxylic acid lactam
Role
alias
Source
itcmdb_public
Preferred
No
Name
116084-93-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
116084-93-6
Role
alias
Source
HERB_v2
Preferred
No
Name
15-hydroxy-13,14-dimethoxy-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
15-hydroxy-13,14-dimethoxy-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
AKOS040736251
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040736251
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174802
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174802
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID901229282
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID901229282
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00384743-01!
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00384743-01!
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
苎叶蒟ZHU YE JUFalsenettleleaf Pepper1-Hydroxy-2,3-dimethoxydibenz[cd,f]indol-4(5H)-one1-Hydroxy-2,3-dimethoxydibenz[cd,f]indol-4(5H)-one, 9CI10-Amino-2,3-dimethoxy-4-hydroxyphenanthrene-1-carboxylic acid lactam116084-93-615-hydroxy-13,14-dimethoxy-10-azatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-11-oneAKOS040736251CHEBI:174802DTXSID901229282NCGC00384743-01!
Cross References
Trusted external identifiers retained for this final record.
Cas
116084-93-6
Herb
HBIN040092
Npass
NPC294196
Tcmid
17452
Tcm Id
1609
Pub Chem
14039008
Tcmbank
TCMBANKIN046593
Etcm Ingredient
Piperolactam D
Itcmdb Generated
ITX-INGREDIENT-9D62D3814433
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H13NO4/c1-21-15-13-12-10(18-17(13)20)7-8-5-3-4-6-9(8)11(12)14(19)16(15)22-2/h3-7,19H,1-2H3,(H,18,20)
Mol Wt
295.294
Cas Id
116084-93-6
Mol Log P
3.281500000000002
In Ch Ikey
PHKYZFGDNGACRM-UHFFFAOYSA-N
Tcm Name
苎叶蒟
Tcm Name2
ZHU YE JU
Mol2 Path
/TCM_database/2007_3d_all/17466.mol2
Reference
3251
Num Hdonors
2
Tcm Name En
Falsenettleleaf Pepper
Drug Likeness
0.712
Num Hacceptors
4
Isomeric Smiles
COC1=C2C3=C(C4=CC=CC=C4C=C3NC2=O)C(=C1OC)O
Canonical Smiles
COC1=C2C3=C(C4=CC=CC=C4C=C3NC2=O)C(=C1OC)O
Herb Alias Names
116084-93-61-Hydroxy-2,3-dimethoxydibenz[cd,f]indol-4(5H)-oneCHEBI:174802DTXSID901229282AKOS040736251NCGC00384743-01!1-Hydroxy-2,3-dimethoxydibenz[cd,f]indol-4(5H)-one, 9CI10-Amino-2,3-dimethoxy-4-hydroxyphenanthrene-1-carboxylic acid lactam15-hydroxy-13,14-dimethoxy-10-azatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-11-one
Molecular Weight
295.080
Molecular Weight
295.29
Molecular Formula
C17H13NO4
Molecular Formula
C17H13NO4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.219
Quantitative Estimate Of Drug Likeness（Qed）
0.712