Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23377
- Core Entity Id
- 29168
- Source Entity Count
- 1
- Preferred Name
- Juniperoside i
- Name En
- Pubchem Id
- 11001532
- Smiles Canonical
- CC1=C(C(=CC=C1)OC2C(C(C(C(O2)CO)O)O)O)C(C)O
- Molecular Formula
- C15H22O7
- Molecular Weight
- 314.3340
- Inchikey
- DZPBFYBMFYHZSM-HFPINDHESA-N
- Inchi
- InChI=1S/C15H22O7/c1-7-4-3-5-9(11(7)8(2)17)21-15-14(20)13(19)12(18)10(6-16)22-15/h3-5,8,10,12-20H,6H2,1-2H3/t8-,10+,12+,13-,14+,15+/m0/s1
- Isomeric Smiles
- CC1=C(C(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H](C)O
- Cas Id
- Ob Score
- Mol Logp
- -0.7730
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Juniperoside i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Juniperoside i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
juniperoside i
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Juniperoside ii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
juniperoside ii
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Juniperoside ii
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031666HBIN031667
Npass
NPC175224
Tcmid
1196511966
Pub Chem
1100153210979937
Tcmbank
TCMBANKIN044434TCMBANKIN045001
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22O7/c1-7-4-3-5-9(11(7)8(2)17)21-15-14(20)13(19)12(18)10(6-16)22-15/h3-5,8,10,12-20H,6H2,1-2H3/t8-,10+,12+,13-,14+,15+/m0/s1
Mol Wt
314.334
Smiles
CC1=C(C(=CC=C1)OC2C(C(C(C(O2)CO)O)O)O)C(C)O
Mol Log P
-0.7729800000000004
In Ch Ikey
DZPBFYBMFYHZSM-HFPINDHESA-N
Mol2 Path
/TCM_database/2007_3d_all/11968.mol2
Reference
4234
Num Hdonors
5
Drug Likeness
0.495
Num Hacceptors
7
Isomeric Smiles
CC1=C(C(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H](C)O
Canonical Smiles
CC1=C(C(=CC=C1)OC2C(C(C(C(O2)CO)O)O)O)C(C)O
Molecular Weight
314.33 g/mol
Molecular Formula
C15H22O7
Molecular Formula
C15H22O7
Num Rotatable Bonds
4