Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31458
- Core Entity Id
- 38154
- Source Entity Count
- 1
- Preferred Name
- Quinomethionate
- Name En
- Pubchem Id
- 17109
- Smiles Canonical
- CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3
- Molecular Formula
- C10H6N2OS2
- Molecular Weight
- 234.3050
- Inchikey
- FBQQHUGEACOBDN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3
- Isomeric Smiles
- CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3
- Cas Id
- Ob Score
- Mol Logp
- 2.5746
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Quinomethionate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Quinomethionate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
quinomethionate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2439-01-2
Role
alias
Source
HERB_v2
Preferred
No
Name
2439-01-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cetactaelate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cetactaelate
Role
alias
Source
HERB_v2
Preferred
No
Name
Chinomethionat
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chinomethionat
Role
alias
Source
HERB_v2
Preferred
No
Name
Chinomethionate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chinomethionate
Role
alias
Source
HERB_v2
Preferred
No
Name
Forstan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Forstan
Role
alias
Source
HERB_v2
Preferred
No
Name
Morestan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Morestan
Role
alias
Source
HERB_v2
Preferred
No
Name
Morestan 2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Morestan 2
Role
alias
Source
HERB_v2
Preferred
No
Name
Morestane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Morestane
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxythioquinox
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxythioquinox
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2439-01-2CetactaelateChinomethionatChinomethionateForstanMorestanMorestan 2MorestaneOxythioquinox
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041760
Npass
NPC88121
Tcmid
35240
Pub Chem
17109
Tcmbank
TCMBANKIN013788
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3
Mol Wt
234.305
Smiles
CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3
Mol Log P
2.57462
In Ch Ikey
FBQQHUGEACOBDN-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.6
Num Hacceptors
5
Isomeric Smiles
CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3
Canonical Smiles
CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3
Herb Alias Names
ChinomethionateChinomethionatOxythioquinox2439-01-2MorestanForstanCetactaelateMorestaneMorestan 2
Molecular Weight
234.3 g/mol
Molecular Formula
C10H6N2OS2
Molecular Formula
C10H6N2OS2
Num Rotatable Bonds
0