Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 3Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15103
- Core Entity Id
- 19952
- Source Entity Count
- 1
- Preferred Name
- Coniine
- Name En
- Pubchem Id
- 12303861
- Smiles Canonical
- CCCC1CCCCN1
- Molecular Formula
- C8H17N
- Molecular Weight
- 127.2310
- Inchikey
- NDNUANOUGZGEPO-QMMMGPOBSA-N
- Inchi
- InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
- Isomeric Smiles
- CCC[C@H]1CCCCN1
- Cas Id
- Ob Score
- Mol Logp
- 1.9286
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Coniine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Coniine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Coniine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Coniine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
coniine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Coniine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Coniine
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-propylpiperidine
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-propylpiperidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-(+)-Coniine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-(+)-Coniine
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-Propylpiperidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Propylpiperidine
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-beta-Propylpiperidine
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-beta-Propylpiperidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
458-88-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
458-88-8
Role
alias
Source
HERB_v2
Preferred
No
Name
Cicutin
Role
alias
Source
TCMBank
Preferred
No
Name
Cicutine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cicutine
Role
alias
Source
HERB_v2
Preferred
No
Name
Conicine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Conicine
Role
alias
Source
HERB_v2
Preferred
No
Name
Koniin
Role
alias
Source
HERB_v2
Preferred
No
Name
Koniin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Coniine(2S)-2-propylpiperidine(S)-(+)-Coniine(S)-2-Propylpiperidine(S)-beta-Propylpiperidine458-88-8CicutinCicutineConicineKoniin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021369
Tcmid
3988
Sym Map
SMIT14744
Pub Chem
12303861441072638021
Tcmbank
TCMBANKIN026305
Etcm Ingredient
Coniine
Itcmdb Generated
ITX-INGREDIENT-78E401C482E7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
Mol Wt
127.231
Smiles
CCCC1CCCCN1
Mol Log P
1.9286
Version
v1,v2
In Ch Ikey
NDNUANOUGZGEPO-QMMMGPOBSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.597
Num Hacceptors
1
Isomeric Smiles
CCC[C@H]1CCCCN1
Canonical Smiles
CCCC1CCCCN1
Herb Alias Names
(S)-2-Propylpiperidine458-88-8(+)-Coniine(2S)-2-propylpiperidineConicineCicutine(S)-(+)-Coniine(S)-beta-PropylpiperidineKoniin
Molecular Weight
127.140
Molecular Weight
127.23 g/mol
Molecule Formula
C8H17N
Molecular Formula
C8H17N
Molecular Formula
C8H17N
Molecular Formula
C8H17N
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.100
Quantitative Estimate Of Drug Likeness（Qed）
0.597