Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19953
- Core Entity Id
- 25358
- Source Entity Count
- 1
- Preferred Name
- Genameside a
- Name En
- Pubchem Id
- 11690334
- Smiles Canonical
- COC(=O)C1=COC(C2C1CC(C2(CO)O)O)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C17H26O12
- Molecular Weight
- 422.3830
- Inchikey
- DPORNVNPTRLCKZ-RNLJPYGHSA-N
- Inchi
- InChI=1S/C17H26O12/c1-26-14(24)7-4-27-15(10-6(7)2-9(20)17(10,25)5-19)29-16-13(23)12(22)11(21)8(3-18)28-16/h4,6,8-13,15-16,18-23,25H,2-3,5H2,1H3/t6-,8-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1
- Isomeric Smiles
- COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@H]([C@]2(CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -4.0635
- Num H Donors
- 7
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Genameside A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Genameside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Genameside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
京尼平
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JING NI PING
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Genipa
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Genameside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Genameside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
京尼平JING NI PINGGenipaGenameside B
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027435HBIN027436
Npass
NPC39019
Tcmid
82658266
Pub Chem
1169033411495491
Tcmbank
TCMBANKIN048570TCMBANKIN040810
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H26O12/c1-26-14(24)7-4-27-15(10-6(7)2-9(20)17(10,25)5-19)29-16-13(23)12(22)11(21)8(3-18)28-16/h4,6,8-13,15-16,18-23,25H,2-3,5H2,1H3/t6-,8-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1
Mol Wt
422.3830000000001
Mol Log P
-4.063499999999996
In Ch Ikey
DPORNVNPTRLCKZ-RNLJPYGHSA-N
Tcm Name
京尼平
Tcm Name2
JING NI PING
Mol2 Path
/TCM_database/2007_3d_all/08266.mol2
Reference
4524
Num Hdonors
7
Tcm Name En
Genipa
Drug Likeness
0.212
Num Hacceptors
12
Isomeric Smiles
COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@H]([C@]2(CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Canonical Smiles
COC(=O)C1=COC(C2C1CC(C2(CO)O)O)OC3C(C(C(C(O3)CO)O)O)O
Molecular Weight
422.4 g/mol
Molecular Formula
C17H26O12
Num Rotatable Bonds
5