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
- 36310
- Core Entity Id
- 43552
- Source Entity Count
- 1
- Preferred Name
- Vasicolinone
- Name En
- Pubchem Id
- 627712
- Smiles Canonical
- CN(C)C1=CC=CC=C1C2CCN3C2=NC4=CC=CC=C4C3=O
- Molecular Formula
- C19H19N3O
- Molecular Weight
- 305.3810
- Inchikey
- ADHMTMIOMYKZHH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H19N3O/c1-21(2)17-10-6-4-7-13(17)14-11-12-22-18(14)20-16-9-5-3-8-15(16)19(22)23/h3-10,14H,11-12H2,1-2H3
- Isomeric Smiles
- CN(C)C1=CC=CC=C1C2CCN3C2=NC4=CC=CC=C4C3=O
- Cas Id
- Ob Score
- Mol Logp
- 2.9981
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Vasicolinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Vasicolinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Vasicolinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
vasicolinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-[2-(Dimethylamino)phenyl ]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1h)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[2-(Dimethylamino)phenyl]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
33903-15-0
Role
alias
Source
HERB_v2
Preferred
No
Name
33903-15-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
ADHMTMIOMYKZHH-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
ADHMTMIOMYKZHH-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-262065
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-262065
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[2-(dimethylamino)phenyl]-2,3-dihydro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[2-(dimethylamino)phenyl]-2,3-dihydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
Vasicolinon
Role
alias
Source
HERB_v2
Preferred
No
Name
Vasicolinon
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-[2-(Dimethylamino)phenyl ]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1h)-one3-[2-(Dimethylamino)phenyl]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one33903-15-0ADHMTMIOMYKZHH-UHFFFAOYSA-NDB-262065Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[2-(dimethylamino)phenyl]-2,3-dihydro-Vasicolinon
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047761
Npass
NPC202765
Tcmid
22336
Pub Chem
627712
Tcmbank
TCMBANKIN025196
Etcm Ingredient
Vasicolinone
Itcmdb Generated
ITX-INGREDIENT-A79E1F1F0D84
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H19N3O/c1-21(2)17-10-6-4-7-13(17)14-11-12-22-18(14)20-16-9-5-3-8-15(16)19(22)23/h3-10,14H,11-12H2,1-2H3
Mol Wt
305.381
Smiles
CN(C)C1=CC=CC=C1C2CCN3C2=NC4=CC=CC=C4C3=O
Mol Log P
2.998100000000002
In Ch Ikey
ADHMTMIOMYKZHH-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.73
Num Hacceptors
4
Isomeric Smiles
CN(C)C1=CC=CC=C1C2CCN3C2=NC4=CC=CC=C4C3=O
Canonical Smiles
CN(C)C1=CC=CC=C1C2CCN3C2=NC4=CC=CC=C4C3=O
Herb Alias Names
Vasicolinon33903-15-0ADHMTMIOMYKZHH-UHFFFAOYSA-NPyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[2-(dimethylamino)phenyl]-2,3-dihydro-DB-2620653-[2-(Dimethylamino)phenyl ]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1h)-one3-[2-(Dimethylamino)phenyl]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Molecular Weight
305.150
Molecular Weight
305.4 g/mol
Molecular Formula
C19H19N3O
Molecular Formula
C19H19N3O
Molecular Formula
C19H19N3O
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.902
Quantitative Estimate Of Drug Likeness（Qed）
0.730