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
- 35593
- Core Entity Id
- 42751
- Source Entity Count
- 1
- Preferred Name
- Triacontan-4-olide
- Name En
- Pubchem Id
- 10983249
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCC1CCC(=O)O1
- Molecular Formula
- C30H58O2
- Molecular Weight
- 450.7920
- Inchikey
- YLLQOTIGQVCOEH-LJAQVGFWSA-N
- Inchi
- InChI=1S/C30H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27-28-30(31)32-29/h29H,2-28H2,1H3/t29-/m0/s1
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
- Cas Id
- Ob Score
- Mol Logp
- 10.4644
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 25
- Drug Likeness
- 0.1020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Triacontan-4-olide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Triacontan-4-olide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Triacontan-4-olide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
俯垂弗劳菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FU CHUI FE LAO JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tarbush
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
俯垂弗劳菊FU CHUI FE LAO JUTarbush
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046892
Npass
NPC163823
Tcmid
21526
Pub Chem
10983249
Tcmbank
TCMBANKIN048302
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27-28-30(31)32-29/h29H,2-28H2,1H3/t29-/m0/s1
Mol Wt
450.7920000000004
Mol Log P
10.46439999999999
In Ch Ikey
YLLQOTIGQVCOEH-LJAQVGFWSA-N
Tcm Name
俯垂弗劳菊
Tcm Name2
FU CHUI FE LAO JU
Mol2 Path
/TCM_database/2007_3d_all/21542.mol2
Reference
3433
Num Hdonors
0
Tcm Name En
Tarbush
Drug Likeness
0.102
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCC1CCC(=O)O1
Molecular Weight
450.8 g/mol
Molecular Formula
C30H58O2
Num Rotatable Bonds
25