Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9230
- Core Entity Id
- 13425
- Source Entity Count
- 1
- Preferred Name
- 9-ribosylzeatin
- Name En
- Pubchem Id
- 161606
- Smiles Canonical
- CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO
- Molecular Formula
- C15H21N5O5
- Molecular Weight
- 351.3630
- Inchikey
- GOSWTRUMMSCNCW-SDBHATRESA-N
- Inchi
- InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
- Isomeric Smiles
- CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)CO
- Cas Id
- Ob Score
- Mol Logp
- -1.2117
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-Ribosylzeatin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9-Ribosylzeatin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-ribosylzeatin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
9-ribosylzeatin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
猕猴桃
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MI HOU TAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yangtao Actinidia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxolane-3,4-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxolane-3,4-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
28542-78-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
28542-78-1
Role
alias
Source
HERB_v2
Preferred
No
Name
6-(4-hydroxy-3-methylbut-2-enylamino)-9-beta-d-ribofuranosylpurine
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-(4-hydroxy-3-methylbut-2-enylamino)-9-beta-d-ribofuranosylpurine
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS030240776
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS030240776
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00891556
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00891556
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00014570
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00014570
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27109360
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27109360
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zeatin riboside
Role
alias
Source
HERB_v2
Preferred
No
Name
Zeatin riboside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
猕猴桃MI HOU TAOYangtao Actinidia(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxolane-3,4-diol28542-78-16-(4-hydroxy-3-methylbut-2-enylamino)-9-beta-d-ribofuranosylpurineAKOS030240776DTXSID00891556NS00014570Q27109360Zeatin riboside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014183
Npass
NPC261323
Tcmid
18823
Pub Chem
161606
Tcmbank
TCMBANKIN048965
Etcm Ingredient
9-Ribosylzeatin
Itcmdb Generated
ITX-INGREDIENT-59DA165F1DAF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
Mol Wt
351.3630000000001
Mol Log P
-1.2117
In Ch Ikey
GOSWTRUMMSCNCW-SDBHATRESA-N
Tcm Name
猕猴桃
Tcm Name2
MI HOU TAO
Mol2 Path
/TCM_database/2007_3d_all/18838.mol2
Reference
660
Num Hdonors
5
Tcm Name En
Yangtao Actinidia
Drug Likeness
0.404
Num Hacceptors
10
Isomeric Smiles
CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)CO
Canonical Smiles
CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO
Herb Alias Names
Zeatin riboside28542-78-1DTXSID00891556AKOS030240776NS00014570Q271093606-(4-hydroxy-3-methylbut-2-enylamino)-9-beta-d-ribofuranosylpurine(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxolane-3,4-diol
Molecular Weight
351.150
Molecular Weight
351.36 g/mol
Molecular Formula
C15H21N5O5
Molecular Formula
C15H21N5O5
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.045
Quantitative Estimate Of Drug Likeness（Qed）
0.399