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
- 23350
- Core Entity Id
- 29138
- Source Entity Count
- 1
- Preferred Name
- Junceellolide h
- Name En
- Pubchem Id
- 21589221
- Smiles Canonical
- CC1=CC2C3(C(C4C(=CCC(C4(C(CC1)O)C)O)C)O)C(O3)(C(=O)O2)C
- Molecular Formula
- C20H28O6
- Molecular Weight
- 364.4380
- Inchikey
- ALWWZYJXKOQZBH-ZYMUOCAQSA-N
- Inchi
- InChI=1S/C20H28O6/c1-10-5-7-12(21)18(3)13(22)8-6-11(2)15(18)16(23)20-14(9-10)25-17(24)19(20,4)26-20/h6,9,12-16,21-23H,5,7-8H2,1-4H3/b10-9-/t12-,13-,14-,15+,16-,18-,19-,20-/m0/s1
- Isomeric Smiles
- C/C/1=C/[C@H]2[C@]3([C@H]([C@H]4C(=CC[C@@H]([C@@]4([C@H](CC1)O)C)O)C)O)[C@@](O3)(C(=O)O2)C
- Cas Id
- Ob Score
- Mol Logp
- 1.2348
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Junceellolide H
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Junceellolide h
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Junceellolide h
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
脆灯心柳珊瑚
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CUI DENG XIN LIU SHAN HU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Junceella fragilis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
脆灯心柳珊瑚CUI DENG XIN LIU SHAN HUJunceella fragilis
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031637
Tcmid
11944
Pub Chem
21589221
Tcmbank
TCMBANKIN044111
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O6/c1-10-5-7-12(21)18(3)13(22)8-6-11(2)15(18)16(23)20-14(9-10)25-17(24)19(20,4)26-20/h6,9,12-16,21-23H,5,7-8H2,1-4H3/b10-9-/t12-,13-,14-,15+,16-,18-,19-,20-/m0/s1
Mol Wt
364.4380000000001
Mol Log P
1.2348
In Ch Ikey
ALWWZYJXKOQZBH-ZYMUOCAQSA-N
Tcm Name
脆灯心柳珊瑚
Tcm Name2
CUI DENG XIN LIU SHAN HU
Mol2 Path
/TCM_database/2007_3d_all/11947.mol2
Reference
4411
Num Hdonors
3
Tcm Name En
Junceella fragilis
Drug Likeness
0.34
Num Hacceptors
6
Isomeric Smiles
C/C/1=C/[C@H]2[C@]3([C@H]([C@H]4C(=CC[C@@H]([C@@]4([C@H](CC1)O)C)O)C)O)[C@@](O3)(C(=O)O2)C
Canonical Smiles
CC1=CC2C3(C(C4C(=CCC(C4(C(CC1)O)C)O)C)O)C(O3)(C(=O)O2)C
Molecular Formula
C20H28O6
Num Rotatable Bonds
0