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
- 26624
- Core Entity Id
- 32783
- Source Entity Count
- 1
- Preferred Name
- Mopanolside
- Name En
- Pubchem Id
- 101846311
- Smiles Canonical
- C1C2=C(C=CC(=C2O)O)C3C(O1)C(C4=C(O3)C=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O
- Molecular Formula
- C22H24O11
- Molecular Weight
- 464.4230
- Inchikey
- ODPDERVBQNXEAF-CWXAIFBTSA-N
- Inchi
- InChI=1S/C22H24O11/c23-6-14-17(27)18(28)19(29)22(33-14)31-8-1-2-10-13(5-8)32-20-9-3-4-12(24)15(25)11(9)7-30-21(20)16(10)26/h1-5,14,16-29H,6-7H2/t14-,16-,17-,18+,19-,20-,21+,22-/m1/s1
- Isomeric Smiles
- C1C2=C(C=CC(=C2O)O)[C@@H]3[C@@H](O1)[C@@H](C4=C(O3)C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.6576
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mopanolside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mopanolside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Mopanolside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
仪花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YI HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Redbracted Lysidice
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
仪花YI HUARedbracted Lysidice
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035712
Tcmid
14942
Pub Chem
101846311
Tcmbank
TCMBANKIN041097
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H24O11/c23-6-14-17(27)18(28)19(29)22(33-14)31-8-1-2-10-13(5-8)32-20-9-3-4-12(24)15(25)11(9)7-30-21(20)16(10)26/h1-5,14,16-29H,6-7H2/t14-,16-,17-,18+,19-,20-,21+,22-/m1/s1
Mol Wt
464.4230000000001
Mol Log P
-0.6576000000000009
In Ch Ikey
ODPDERVBQNXEAF-CWXAIFBTSA-N
Tcm Name
仪花
Tcm Name2
YI HUA
Mol2 Path
/TCM_database/2007_3d_all/14950.mol2
Reference
4086
Num Hdonors
7
Tcm Name En
Redbracted Lysidice
Drug Likeness
0.287
Num Hacceptors
11
Isomeric Smiles
C1C2=C(C=CC(=C2O)O)[C@@H]3[C@@H](O1)[C@@H](C4=C(O3)C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Canonical Smiles
C1C2=C(C=CC(=C2O)O)C3C(O1)C(C4=C(O3)C=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O
Molecular Weight
464.4 g/mol
Molecular Formula
C22H24O11
Num Rotatable Bonds
3