Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34532
- Core Entity Id
- 41577
- Source Entity Count
- 1
- Preferred Name
- Taraxasterol palmitate
- Name En
- Pubchem Id
- 14055766
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C(=C)CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)C)C
- Molecular Formula
- C46H80O2
- Molecular Weight
- 665.1440
- Inchikey
- DXQGVZZURAURRK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h35-39,41H,2,10-33H2,1,3-9H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C(=C)CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 14.0570
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.0990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Taraxasterol Palmitate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Taraxasterol Palmitate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Taraxasterol palmitate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Taraxasterol palmitate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Taraxasterol palmitate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Taraxasterol palmitate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
CHENG GAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Eupatorium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHENG GAN CAOJapanese Eupatorium
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045534
Tcmid
25216
Sym Map
SMIT18805
Pub Chem
14055766
Tcmbank
TCMBANKIN032216
Etcm Ingredient
Taraxasterol palmitate
Itcmdb Generated
ITX-INGREDIENT-E2B634C4C82AITX-INGREDIENT-E7197721F489
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h35-39,41H,2,10-33H2,1,3-9H3
Mol Wt
665.1440000000001
Mol Log P
14.05699999999997
Version
v1,v2
In Ch Ikey
DXQGVZZURAURRK-UHFFFAOYSA-N
Suppress
0
Tcm Name2
CHENG GAN CAO
Reference
6
Num Hdonors
0
Tcm Name En
Japanese Eupatorium
Drug Likeness
0.099
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C(=C)CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)C)C
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C(=C)CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)C)C
Molecular Weight
468.400
Molecular Formula
C32H52O2
Molecular Formula
C46H80O2
Num Rotatable Bonds
15
Fda Maximum Daily Dose (Fdamdd)
0.677
Quantitative Estimate Of Drug Likeness（Qed）
0.284