Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Reference: 1Target: 2Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36308
- Core Entity Id
- 43550
- Source Entity Count
- 1
- Preferred Name
- Vasicinone
- Name En
- Pubchem Id
- 442935
- Smiles Canonical
- C1CN2C(=NC3=CC=CC=C3C2=O)C1O
- Molecular Formula
- C11H10N2O2
- Molecular Weight
- 202.2130
- Inchikey
- SDIVYZXRQHWCKF-VIFPVBQESA-N
- Inchi
- InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m0/s1
- Isomeric Smiles
- C1CN2C(=NC3=CC=CC=C3C2=O)[C@H]1O
- Cas Id
- Ob Score
- Mol Logp
- 0.8336
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Vasicinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Vasicinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Vasicinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
vasicinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Vasicinone
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Vasicinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
486-64-6
Role
alias
Source
HERB_v2
Preferred
No
Name
486-64-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10744
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10744
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9936
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9936
Role
alias
Source
itcmdb_public
Preferred
No
Name
G6T5819NXM
Role
alias
Source
itcmdb_public
Preferred
No
Name
G6T5819NXM
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-G6T5819NXM
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-G6T5819NXM
Role
alias
Source
itcmdb_public
Preferred
No
Name
l-Vasicinone
Role
alias
Source
HERB_v2
Preferred
No
Name
l-Vasicinone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Vasicinone(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one(3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one486-64-6C10744CHEBI:9936G6T5819NXMUNII-G6T5819NXMl-Vasicinone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047759
Npass
NPC81931
Tcmid
22334
Tcm Id
22524192
Pub Chem
442935776133
Tcmbank
TCMBANKIN021138
Etcm Ingredient
Vasicinone
Itcmdb Generated
ITX-INGREDIENT-FB48C03CD394
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m0/s1
Mol Wt
202.213
Smiles
C1CN2C(=NC3=CC=CC=C3C2=O)C1O
Mol Log P
0.8335999999999999
In Ch Ikey
SDIVYZXRQHWCKF-VIFPVBQESA-N
Num Hdonors
1
Drug Likeness
0.688
Num Hacceptors
4
Isomeric Smiles
C1CN2C(=NC3=CC=CC=C3C2=O)[C@H]1O
Canonical Smiles
C1CN2C(=NC3=CC=CC=C3C2=O)C1O
Herb Alias Names
486-64-6l-Vasicinone(-)-Vasicinone(3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-oneUNII-G6T5819NXMG6T5819NXMCHEBI:9936(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-oneC10744
Molecular Weight
202.070
Molecular Weight
202.21 g/mol
Molecular Formula
C11H10N2O2
Molecular Formula
C11H10N2O2
Molecular Formula
C11H10N2O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.450
Quantitative Estimate Of Drug Likeness（Qed）
0.688