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
- 25278
- Core Entity Id
- 31289
- Source Entity Count
- 1
- Preferred Name
- Lysidicichin
- Name En
- Pubchem Id
- 44125478
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C=C4)O)O)O)O
- Molecular Formula
- C24H22O10
- Molecular Weight
- 470.4300
- Inchikey
- LMXVAQGQBWGDQE-FYYLOGMGSA-N
- Inchi
- InChI=1S/C24H22O10/c1-31-19-6-12(7-20(32-2)22(19)29)24(30)34-21-10-14-16(27)8-13(25)9-18(14)33-23(21)11-3-4-15(26)17(28)5-11/h3-9,21,23,25-29H,10H2,1-2H3/t21-,23-/m1/s1
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1336
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lysidicichin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lysidicichin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lysidicichin
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
Name
SCHEMBL13039754
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL13039754
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
仪花YI HUARedbracted LysidiceSCHEMBL13039754
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034037
Npass
NPC188690
Tcmid
13253
Pub Chem
44125478
Tcmbank
TCMBANKIN049294
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H22O10/c1-31-19-6-12(7-20(32-2)22(19)29)24(30)34-21-10-14-16(27)8-13(25)9-18(14)33-23(21)11-3-4-15(26)17(28)5-11/h3-9,21,23,25-29H,10H2,1-2H3/t21-,23-/m1/s1
Mol Wt
470.4300000000001
Mol Log P
3.133600000000003
In Ch Ikey
LMXVAQGQBWGDQE-FYYLOGMGSA-N
Tcm Name
仪花
Tcm Name2
YI HUA
Mol2 Path
/TCM_database/2007_3d_all/13260.mol2
Reference
4086
Num Hdonors
5
Tcm Name En
Redbracted Lysidice
Drug Likeness
0.277
Num Hacceptors
10
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O
Canonical Smiles
COC1=CC(=CC(=C1O)OC)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C=C4)O)O)O)O
Herb Alias Names
SCHEMBL13039754
Molecular Weight
470.4 g/mol
Molecular Formula
C24H22O10
Num Rotatable Bonds
5