Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27058
- Core Entity Id
- 33264
- Source Entity Count
- 1
- Preferred Name
- N6-(2-isopentenyl)adenine
- Name En
- Pubchem Id
- 92180
- Smiles Canonical
- CC(=CCNC1=NC=NC2=C1NC=N2)C
- Molecular Formula
- C10H13N5
- Molecular Weight
- 203.2490
- Inchikey
- HYVABZIGRDEKCD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
- Isomeric Smiles
- CC(=CCNC1=NC=NC2=C1NC=N2)C
- Cas Id
- Ob Score
- 66.6807
- Mol Logp
- 1.7310
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N6-(2-Isopentenyl)Adenine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
N6-(2-Isopentenyl)Adenine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N6-(2-Isopentenyl)adenine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N6-(2-isopentenyl)adenine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N6-(2-isopentenyl)adenine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2365-40-4
Role
alias
Source
HERB_v2
Preferred
No
Name
2365-40-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2IP
Role
alias
Source
TCMBank
Preferred
No
Name
3-(3-methylbut-2-enyl)-6-purinamine
Role
alias
Source
TCMBank
Preferred
No
Name
3-(3-methylbut-2-enyl)purin-6-amine
Role
alias
Source
TCMBank
Preferred
No
Name
6-(gamma,gamma-Dimethylallylamino)purine
Role
alias
Source
HERB_v2
Preferred
No
Name
6-(gamma,gamma-Dimethylallylamino)purine
Role
alias
Source
itcmdb_public
Preferred
No
Name
ACon1_002114
Role
alias
Source
TCMBank
Preferred
No
Name
D5912_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
D7660_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
D7674_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Enadenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Enadenine
Role
alias
Source
HERB_v2
Preferred
No
Name
IPADE
Role
alias
Source
HERB_v2
Preferred
No
Name
IPADE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isopentenyl adenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isopentenyladenine
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_001772
Role
alias
Source
TCMBank
Preferred
No
Name
N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
Role
alias
Source
HERB_v2
Preferred
No
Name
N6-Dimethylallyladenine
Role
alias
Source
HERB_v2
Preferred
No
Name
N6-Dimethylallyladenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N6-Isopentenyladenine
Role
alias
Source
HERB_v2
Preferred
No
Name
N6-Isopentenyladenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oprea1_038329
Role
alias
Source
TCMBank
Preferred
No
Name
STOCK1N-11856
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00002209
Role
alias
Source
TCMBank
Preferred
No
Name
[3-(3-methylbut-2-enyl)purin-6-yl]amine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2365-40-42IP3-(3-methylbut-2-enyl)-6-purinamine3-(3-methylbut-2-enyl)purin-6-amine6-(gamma,gamma-Dimethylallylamino)purineACon1_002114D5912_SIGMAD7660_SIGMAD7674_SIGMAEnadenineIPADEIsopentenyl adenineIsopentenyladenineMEGxp0_001772N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINEN6-DimethylallyladenineN6-IsopentenyladenineOprea1_038329STOCK1N-11856ZINC00002209[3-(3-methylbut-2-enyl)purin-6-yl]amine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036253
Tcmsp
MOL012997
Sym Map
SMIT13705
Pub Chem
92180
Tcmbank
TCMBANKIN029934
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
Mol Wt
203.249
Smiles
CC(=CCNC1=NC=NC2=C1NC=N2)C
Mol Log P
1.731
Version
v1
In Ch Ikey
HYVABZIGRDEKCD-UHFFFAOYSA-N
Ob Score
66.6806769266.68067766.681
Suppress
0
Num Hdonors
2
Drug Likeness
0.745
Num Hacceptors
4
Isomeric Smiles
CC(=CCNC1=NC=NC2=C1NC=N2)C
Molecule Weight
203.28
Canonical Smiles
CC(=CCNC1=NC=NC2=C1NC=N2)C
Herb Alias Names
2365-40-4IsopentenyladenineN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE6-(gamma,gamma-Dimethylallylamino)purineN6-IsopentenyladenineIsopentenyl adenineIPADEN6-DimethylallyladenineEnadenine
Molecular Weight
203.24 g/mol
Molecular Formula
C10H13N5
Molecular Formula
C10H13N5
Num Rotatable Bonds
3