Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7686
- Core Entity Id
- 11722
- Source Entity Count
- 1
- Preferred Name
- 6-hydroxy-junipeionoloside
- Name En
- Pubchem Id
- 100966498
- Smiles Canonical
- CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)COC2C(C(C(C(O2)CO)O)O)O
- Molecular Formula
- C19H30O9
- Molecular Weight
- 402.4400
- Inchikey
- UUUMPMJOJKTIFJ-DGPGMISOSA-N
- Inchi
- InChI=1S/C19H30O9/c1-10-6-12(22)7-18(3,19(10,26)5-4-11(2)21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,11,13-17,20-21,23-26H,7-9H2,1-3H3/b5-4+/t11-,13-,14-,15+,16-,17-,18?,19?/m1/s1
- Isomeric Smiles
- CC1=CC(=O)CC(C1(/C=C/[C@@H](C)O)O)(C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.6036
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2880
- Polar Surface Area
- 157.0000
- Molecular Volume
- 273.0000
- Alogp
- -1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Hydroxy-junipeionoloside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-hydroxy-junipeionoloside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-hydroxy-junipeionoloside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-hydroxy-junipeionoloside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
腓尼基刺柏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FEI NI JI CI BAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Poiret Barberry
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
腓尼基刺柏FEI NI JI CI BAIPoiret Barberry
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012440
Tcmid
10270
Pub Chem
100966498
Tcmbank
TCMBANKIN046444
Etcm Ingredient
6-hydroxy-junipeionoloside
Itcmdb Generated
ITX-INGREDIENT-C6DF442FF882
Attributes
Merged source attributes and domain-specific metadata.
Alog P
-1
In Ch I
InChI=1S/C19H30O9/c1-10-6-12(22)7-18(3,19(10,26)5-4-11(2)21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,11,13-17,20-21,23-26H,7-9H2,1-3H3/b5-4+/t11-,13-,14-,15+,16-,17-,18?,19?/m1/s1
Mol Wt
402.4400000000001
37 Flag
37
C Count
19
Mol Log P
-1.603599999999998
N Count
0
O Count
9
P Count
0
S Count
0
In Ch Ikey
UUUMPMJOJKTIFJ-DGPGMISOSA-N
Tcm Name
腓尼基刺柏
Tcm Name2
FEI NI JI CI BAI
Mol2 Path
/TCM_database/2007_3d_all/10271.mol2
Reference
1867
Num Hdonors
6
Tcm Name En
Poiret Barberry
Num H Donors
6
Drug Likeness
0.288
Num Hacceptors
9
Isomeric Smiles
CC1=CC(=O)CC(C1(/C=C/[C@@H](C)O)O)(C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Num H Acceptors
9
Canonical Smiles
CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)COC2C(C(C(C(O2)CO)O)O)O
Molecular Weight
402.190
Molecular Volume
273
Molecular Weight
402
Molecular Formula
C19H30O9
Molecular Formula
C19H30O9
Num Rotatable Bonds
6
Num Rotatable Bonds
6
Molecular Polar Surface Area
157
Fda Maximum Daily Dose (Fdamdd)
0.944
Quantitative Estimate Of Drug Likeness（Qed）
0.288