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
- 22190
- Core Entity Id
- 27848
- Source Entity Count
- 1
- Preferred Name
- Integrifoside a
- Name En
- Pubchem Id
- 10740628
- Smiles Canonical
- CC(=C)C1CC2C(CCC(C2(C)O)OC3C(C(C(C(O3)CO)O)O)O)(CC1O)C
- Molecular Formula
- C21H36O8
- Molecular Weight
- 416.5110
- Inchikey
- YCBFPRSZKYUJNI-DPZMMSJYSA-N
- Inchi
- InChI=1S/C21H36O8/c1-10(2)11-7-14-20(3,8-12(11)23)6-5-15(21(14,4)27)29-19-18(26)17(25)16(24)13(9-22)28-19/h11-19,22-27H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15-,16+,17-,18+,19-,20+,21-/m0/s1
- Isomeric Smiles
- CC(=C)[C@@H]1C[C@@H]2[C@](CC[C@@H]([C@@]2(C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(C[C@H]1O)C
- Cas Id
- Ob Score
- Mol Logp
- -0.3142
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Integrifoside A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Integrifoside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Integrifoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
全缘叶特萨菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QUAN YUAN YE TE SA JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Integrifoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Integrifoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
全缘叶特萨菊QUAN YUAN YE TE SA JUIntegrifoside B
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030212HBIN030213
Tcmid
1109211093
Pub Chem
1074062810645568
Tcmbank
TCMBANKIN044873TCMBANKIN042573
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H36O8/c1-10(2)11-7-14-20(3,8-12(11)23)6-5-15(21(14,4)27)29-19-18(26)17(25)16(24)13(9-22)28-19/h11-19,22-27H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15-,16+,17-,18+,19-,20+,21-/m0/s1
Mol Wt
416.5110000000002
Mol Log P
-0.3141999999999991
In Ch Ikey
YCBFPRSZKYUJNI-DPZMMSJYSA-N
Tcm Name
全缘叶特萨菊
Tcm Name2
QUAN YUAN YE TE SA JU
Mol2 Path
/TCM_database/2007_3d_all/11095.mol2
Reference
3924
Num Hdonors
6
Drug Likeness
0.271
Num Hacceptors
8
Isomeric Smiles
CC(=C)[C@@H]1C[C@@H]2[C@](CC[C@@H]([C@@]2(C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(C[C@H]1O)C
Canonical Smiles
CC(=C)C1CC2C(CCC(C2(C)O)OC3C(C(C(C(O3)CO)O)O)O)(CC1O)C
Molecular Weight
416.5 g/mol
Molecular Formula
C21H36O8
Num Rotatable Bonds
4