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
- 27131
- Core Entity Id
- 33342
- Source Entity Count
- 1
- Preferred Name
- Napiferoside
- Name En
- Pubchem Id
- 5320009
- Smiles Canonical
- CC1=C2CC(C(C=C2CCC1)C(=O)OC3C(C(C(C(O3)CO)O)O)O)C(C)C(=O)O
- Molecular Formula
- C21H30O9
- Molecular Weight
- 426.4620
- Inchikey
- KRIIHCDVUZEPQL-GXKIPKBCSA-N
- Inchi
- InChI=1S/C21H30O9/c1-9-4-3-5-11-6-14(13(7-12(9)11)10(2)19(26)27)20(28)30-21-18(25)17(24)16(23)15(8-22)29-21/h6,10,13-18,21-25H,3-5,7-8H2,1-2H3,(H,26,27)/t10?,13?,14?,15-,16-,17+,18-,21+/m1/s1
- Isomeric Smiles
- CC1=C2CC(C(C=C2CCC1)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.1131
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Napiferoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Napiferoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Napiferoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
WUJING HUAN YANG SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
WUJING HUAN YANG SHEN
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036336
Npass
NPC5865
Tcmid
15254
Pub Chem
5320009
Tcmbank
TCMBANKIN041541
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H30O9/c1-9-4-3-5-11-6-14(13(7-12(9)11)10(2)19(26)27)20(28)30-21-18(25)17(24)16(23)15(8-22)29-21/h6,10,13-18,21-25H,3-5,7-8H2,1-2H3,(H,26,27)/t10?,13?,14?,15-,16-,17+,18-,21+/m1/s1
Mol Wt
426.4620000000001
Mol Log P
0.1130999999999995
In Ch Ikey
KRIIHCDVUZEPQL-GXKIPKBCSA-N
Tcm Name2
WUJING HUAN YANG SHEN
Mol2 Path
/TCM_database/2007_3d_all/15262.mol2
Reference
854
Num Hdonors
5
Drug Likeness
0.385
Num Hacceptors
8
Isomeric Smiles
CC1=C2CC(C(C=C2CCC1)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C)C(=O)O
Canonical Smiles
CC1=C2CC(C(C=C2CCC1)C(=O)OC3C(C(C(C(O3)CO)O)O)O)C(C)C(=O)O
Molecular Formula
C21H30O9
Num Rotatable Bonds
5