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
- 20737
- Core Entity Id
- 26231
- Source Entity Count
- 1
- Preferred Name
- Griffithinam
- Name En
- Pubchem Id
- 5317823
- Smiles Canonical
- COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC(=C3O)OC
- Molecular Formula
- C17H13NO4
- Molecular Weight
- 295.2940
- Inchikey
- QKAHURDEAZTVNH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H13NO4/c1-21-12-5-3-4-8-9(12)6-11-14-10(17(20)18-11)7-13(22-2)16(19)15(8)14/h3-7,19H,1-2H3,(H,18,20)
- Isomeric Smiles
- COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC(=C3O)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
Griffithinam
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Griffithinam
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
griffithinam
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Hydroxy-2,7-dimethoxydibenz[cd,f]indol-4(5H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Hydroxy-2,7-dimethoxydibenz[cd,f]indol-4(5H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
15-hydroxy-6,14-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
15-hydroxy-6,14-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
240122-32-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
240122-32-1
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040735245
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040735245
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229133
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229133
Role
alias
Source
HERB_v2
Preferred
No
Name
Cheliensisame A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cheliensisame A
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601227487
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601227487
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gonioffithine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gonioffithine
Role
alias
Source
HERB_v2
Preferred
No
Name
Gonioffithine I
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gonioffithine I
Role
alias
Source
HERB_v2
Preferred
No
Name
Uvarilactam
Role
alias
Source
HERB_v2
Preferred
No
Name
Uvarilactam
Role
alias
Source
itcmdb_public
Preferred
No
Name
gonioffithine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Hydroxy-2,7-dimethoxydibenz[cd,f]indol-4(5H)-one15-hydroxy-6,14-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one240122-32-1AKOS040735245CHEBI:229133Cheliensisame ADTXSID601227487GonioffithineGonioffithine IUvarilactam
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028422HBIN028314
Npass
NPC237203
Tcmid
356128936
Pub Chem
5317823
Tcmbank
TCMBANKIN027461TCMBANKIN061874
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H13NO4/c1-21-12-5-3-4-8-9(12)6-11-14-10(17(20)18-11)7-13(22-2)16(19)15(8)14/h3-7,19H,1-2H3,(H,18,20)
Mol Wt
295.294
Smiles
COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC(=C3O)OC
Mol Log P
3.281500000000001
In Ch Ikey
QKAHURDEAZTVNH-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.712
Num Hacceptors
4
Isomeric Smiles
COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC(=C3O)OC
Canonical Smiles
COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC(=C3O)OC
Herb Alias Names
240122-32-1Uvarilactam15-hydroxy-6,14-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-oneGonioffithine1-Hydroxy-2,7-dimethoxydibenz[cd,f]indol-4(5H)-oneCheliensisame AGonioffithine ICHEBI:229133DTXSID601227487AKOS0407352451-Hydroxy-2,7-dimethoxydibenz[cd,f]indol-4(5H)-one
Molecular Weight
295.29 g/mol
Molecular Formula
C17H13NO4
Molecular Formula
C17H13NO4
Num Rotatable Bonds
2