Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27427
- Core Entity Id
- 33672
- Source Entity Count
- 1
- Preferred Name
- Neopellitorine b
- Name En
- Pubchem Id
- 11118018
- Smiles Canonical
- CCCCCC=CC=CC(=O)N1CCCCC1
- Molecular Formula
- C15H25NO
- Molecular Weight
- 235.3710
- Inchikey
- ZPSGREUUQGTKDE-ZICOIJLXSA-N
- Inchi
- InChI=1S/C15H25NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h6-7,9,12H,2-5,8,10-11,13-14H2,1H3/b7-6+,12-9+
- Isomeric Smiles
- CCCCC/C=C/C=C/C(=O)N1CCCCC1
- Cas Id
- Ob Score
- Mol Logp
- 3.6916
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Neopellitorine B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Neopellitorine B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Neopellitorine B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Neopellitorine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Neopellitorine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
狭叶青蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIA YE QING HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tarragon
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2E,4E)-1-(Piperidin-1-yl)deca-2,4-dien-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E)-1-(Piperidin-1-yl)deca-2,4-dien-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Decadienoyl piperidide I
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Decadienoyl piperidide I
Role
alias
Source
HERB_v2
Preferred
No
Name
42997-42-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
42997-42-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Achilleamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Achilleamide
Role
alias
Source
HERB_v2
Preferred
No
Name
Iyeremide B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Iyeremide B
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4881424
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4881424
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL989746
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL989746
Role
alias
Source
HERB_v2
Preferred
No
Name
ZPSGREUUQGTKDE-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZPSGREUUQGTKDE-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
ZPSGREUUQGTKDE-ZICOIJLXSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
ZPSGREUUQGTKDE-ZICOIJLXSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
狭叶青蒿XIA YE QING HAOTarragon(2E,4E)-1-(Piperidin-1-yl)deca-2,4-dien-1-one2,4-Decadienoyl piperidide I42997-42-2AchilleamideIyeremide BSCHEMBL4881424SCHEMBL989746ZPSGREUUQGTKDE-UHFFFAOYSA-NZPSGREUUQGTKDE-ZICOIJLXSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036709
Npass
NPC31090
Tcmid
15437
Sym Map
SMIT16832
Pub Chem
11118018
Tcmbank
TCMBANKIN048657
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H25NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h6-7,9,12H,2-5,8,10-11,13-14H2,1H3/b7-6+,12-9+
Mol Wt
235.3709999999999
Mol Log P
3.691600000000003
Version
v1,v2
In Ch Ikey
ZPSGREUUQGTKDE-ZICOIJLXSA-N
Suppress
0
Tcm Name
狭叶青蒿
Tcm Name2
XIA YE QING HAO
Mol2 Path
/TCM_database/2007_3d_all/15446.mol2
Reference
4753, 5218
Num Hdonors
0
Tcm Name En
Tarragon
Drug Likeness
0.39
Num Hacceptors
1
Isomeric Smiles
CCCCC/C=C/C=C/C(=O)N1CCCCC1
Canonical Smiles
CCCCCC=CC=CC(=O)N1CCCCC1
Herb Alias Names
(2E,4E)-1-(Piperidin-1-yl)deca-2,4-dien-1-one42997-42-2AchilleamideIyeremide BSCHEMBL9897462,4-Decadienoyl piperidide ISCHEMBL4881424ZPSGREUUQGTKDE-UHFFFAOYSA-NZPSGREUUQGTKDE-ZICOIJLXSA-N
Molecular Weight
235.36 g/mol
Molecular Formula
C15H25NO
Num Rotatable Bonds
6