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
- 17626
- Core Entity Id
- 22763
- Source Entity Count
- 1
- Preferred Name
- Drymaritin
- Name En
- Pubchem Id
- 11687449
- Smiles Canonical
- COC1=CC(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4
- Molecular Formula
- C15H10N2O2
- Molecular Weight
- 250.2570
- Inchikey
- DRUBOMIDMLWOQH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10N2O2/c1-19-12-8-13(18)17-11-5-3-2-4-9(11)10-6-7-16-14(12)15(10)17/h2-8H,1H3
- Isomeric Smiles
- COC1=CC(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4
- Cas Id
- Ob Score
- Mol Logp
- 2.4473
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Drymaritin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Drymaritin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
drymaritin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxycanthin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxycanthin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5023-08-5
Role
alias
Source
HERB_v2
Preferred
No
Name
5023-08-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65813
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65813
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3609493
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3609493
Role
alias
Source
HERB_v2
Preferred
No
Name
Cordatanine
Role
alias
Source
HERB_v2
Preferred
No
Name
Cordatanine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one4-methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one4-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one4-methoxycanthin-6-one5023-08-5CHEBI:65813CHEMBL3609493Cordatanine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024508
Npass
NPC198673
Tcmid
6608
Tcm Id
19975
Pub Chem
11687449
Tcmbank
TCMBANKIN044265
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10N2O2/c1-19-12-8-13(18)17-11-5-3-2-4-9(11)10-6-7-16-14(12)15(10)17/h2-8H,1H3
Mol Wt
250.257
Smiles
COC1=CC(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4
Mol Log P
2.4473
In Ch Ikey
DRUBOMIDMLWOQH-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/06609.mol2
Reference
4758
Num Hdonors
0
Drug Likeness
0.521
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4
Canonical Smiles
COC1=CC(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4
Herb Alias Names
4-methoxycanthin-6-oneCHEBI:658134-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one4-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one4-methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-oneCordatanine4-methoxy-1,6-diazatetracyclo(7.6.1.05,16.010,15)hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one5023-08-5CHEMBL3609493
Molecular Weight
250.25 g/mol
Molecular Formula
C15H10N2O2
Molecular Formula
C15H10N2O2
Num Rotatable Bonds
1