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
- 6038
- Core Entity Id
- 9894
- Source Entity Count
- 1
- Preferred Name
- 4-hydroxy-3-methoxy-n-methylaristolactam
- Name En
- Pubchem Id
- 25264744
- Smiles Canonical
- CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4O)OC)C1=O
- Molecular Formula
- C17H13NO3
- Molecular Weight
- 279.2950
- Inchikey
- SXOOWJJLSWDXTQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H13NO3/c1-18-12-7-9-5-3-4-6-10(9)15-14(12)11(17(18)20)8-13(21-2)16(15)19/h3-8,19H,1-2H3
- Isomeric Smiles
- CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4O)OC)C1=O
- Cas Id
- Ob Score
- Mol Logp
- 3.2972
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-hydroxy-3-methoxy-n-methylaristolactam
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-hydroxy-3-methoxy-n-methylaristolactam
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-hydroxy-3-methoxy-n-methylaristolactam
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
15-hydroxy-14-methoxy-10-methyl-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
15-hydroxy-14-methoxy-10-methyl-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
CHEMBL505869
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL505869
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methyl piperolactam A
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl piperolactam A
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
15-hydroxy-14-methoxy-10-methyl-10-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,4,6,8,12,14-heptaen-11-oneCHEMBL505869N-Methyl piperolactam A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010478
Npass
NPC207873
Tcmid
10415
Pub Chem
25264744
Tcmbank
TCMBANKIN050085
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H13NO3/c1-18-12-7-9-5-3-4-6-10(9)15-14(12)11(17(18)20)8-13(21-2)16(15)19/h3-8,19H,1-2H3
Mol Wt
279.295
Smiles
CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4O)OC)C1=O
Mol Log P
3.297200000000003
In Ch Ikey
SXOOWJJLSWDXTQ-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/10416.mol2
Reference
4938
Num Hdonors
1
Drug Likeness
0.695
Num Hacceptors
3
Isomeric Smiles
CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4O)OC)C1=O
Canonical Smiles
CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4O)OC)C1=O
Herb Alias Names
N-Methyl piperolactam A15-hydroxy-14-methoxy-10-methyl-10-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one15-hydroxy-14-methoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-oneCHEMBL505869
Molecular Formula
C17H13NO3
Molecular Formula
C17H13NO3
Num Rotatable Bonds
1