Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 3Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12568
- Core Entity Id
- 17139
- Source Entity Count
- 1
- Preferred Name
- Beta-skytanthine
- Name En
- Pubchem Id
- 442552
- Smiles Canonical
- CC1CCC2C1CN(CC2C)C
- Molecular Formula
- C11H21N
- Molecular Weight
- 167.2960
- Inchikey
- HGTMGCDIPYGVKA-ZDCRXTMVSA-N
- Inchi
- InChI=1S/C11H21N/c1-8-4-5-10-9(2)6-12(3)7-11(8)10/h8-11H,4-7H2,1-3H3/t8-,9+,10+,11-/m0/s1
- Isomeric Smiles
- C[C@H]1CC[C@H]2[C@H]1CN(C[C@H]2C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.2302
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Beta-Skytanthine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Beta-Skytanthine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Beta-skytanthine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Beta-skytanthine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
beta-Skytanthine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
beta-Skytanthine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Compositae spp.
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
(4S,4aR,7S,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine
Role
alias
Source
SymMap_v2
Preferred
No
Name
(4S,4aR,7S,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
(4S,4aR,7S,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4S,4aR,7S,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine
Role
alias
Source
TCMBank
Preferred
No
Name
24282-31-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
24282-31-3
Role
alias
Source
TCMBank
Preferred
No
Name
24282-31-3
Role
alias
Source
SymMap_v2
Preferred
No
Name
24282-31-3
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9D2E
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L9D2E
Role
alias
Source
TCMBank
Preferred
No
Name
C09987
Role
alias
Source
itcmdb_public
Preferred
No
Name
C09987
Role
alias
Source
SymMap_v2
Preferred
No
Name
C09987
Role
alias
Source
TCMBank
Preferred
No
Name
C09987
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:10445
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:10445
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:10445
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:10445
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID90331875
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID90331875
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90331875
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90331875
Role
alias
Source
SymMap_v2
Preferred
No
Name
Q27108642
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27108642
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Skytanthine
Role
alias
Source
SymMap_v2
Preferred
No
Name
beta-Skytanthine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Compositae spp.(4S,4aR,7S,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine24282-31-3AC1L9D2EC09987CHEBI:10445DTXSID90331875Q27108642
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018327
Npass
NPC6119
Tcmid
31940
Sym Map
SMIT19477
Pub Chem
442552
Tcmbank
TCMBANKIN043265
Etcm Ingredient
beta-Skytanthine
Itcmdb Generated
ITX-INGREDIENT-9232B801B8E2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H21N/c1-8-4-5-10-9(2)6-12(3)7-11(8)10/h8-11H,4-7H2,1-3H3/t8-,9+,10+,11-/m0/s1
Mol Wt
167.296
Mol Log P
2.2302
Version
v1,v2
In Ch Ikey
HGTMGCDIPYGVKA-ZDCRXTMVSA-N
Suppress
0
Tcm Name2
Compositae spp.
Reference
658
Num Hdonors
0
Drug Likeness
0.535
Num Hacceptors
1
Isomeric Smiles
C[C@H]1CC[C@H]2[C@H]1CN(C[C@H]2C)C
Canonical Smiles
CC1CCC2C1CN(CC2C)C
Herb Alias Names
24282-31-3(4S,4aR,7S,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridineC09987CHEBI:10445DTXSID90331875Q27108642
Molecular Weight
167.170
Molecular Weight
167.29 g/mol
Molecular Formula
C11H21N
Molecular Formula
C11H21N
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.084
Quantitative Estimate Of Drug Likeness（Qed）
0.535