Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20742
- Core Entity Id
- 26237
- Source Entity Count
- 1
- Preferred Name
- Griseofulvin
- Name En
- Pubchem Id
- 441140
- Smiles Canonical
- CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
- Molecular Formula
- C17H17ClO6
- Molecular Weight
- 352.7700
- Inchikey
- DDUHZTYCFQRHIY-RBHXEPJQSA-N
- Inchi
- InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
- Isomeric Smiles
- C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.8103
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Griseofulvin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Griseofulvin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
griseofulvin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Griseofulvin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Griseofulvin
Role
alias
Source
HERB_v2
Preferred
No
Name
126-07-8
Role
alias
Source
HERB_v2
Preferred
No
Name
126-07-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Amudane
Role
alias
Source
HERB_v2
Preferred
No
Name
Amudane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Grifulvin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Grifulvin
Role
alias
Source
HERB_v2
Preferred
No
Name
Grisactin
Role
alias
Source
HERB_v2
Preferred
No
Name
Grisactin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Grisefuline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Grisefuline
Role
alias
Source
HERB_v2
Preferred
No
Name
Griseofulvina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Griseofulvina
Role
alias
Source
HERB_v2
Preferred
No
Name
Griseofulvinum
Role
alias
Source
HERB_v2
Preferred
No
Name
Griseofulvinum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Grisofulvin
Role
alias
Source
HERB_v2
Preferred
No
Name
Grisofulvin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Griseofulvin126-07-8AmudaneGrifulvinGrisactinGrisefulineGriseofulvinaGriseofulvinumGrisofulvin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028428
Npass
NPC234053
Tcm Id
22814
Pub Chem
441140
Tcmbank
TCMBANKIN008201
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
Mol Wt
352.77
Smiles
CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
Mol Log P
2.810300000000001
In Ch Ikey
DDUHZTYCFQRHIY-RBHXEPJQSA-N
Num Hdonors
0
Drug Likeness
0.833
Num Hacceptors
6
Isomeric Smiles
C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
Canonical Smiles
CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
Herb Alias Names
126-07-8(+)-GriseofulvinAmudaneGriseofulvinumGrifulvinGrisactinGrisefulineGriseofulvinaGrisofulvin
Molecular Weight
352.8 g/mol
Molecular Formula
C17H17ClO6
Molecular Formula
C17H17ClO6
Num Rotatable Bonds
3