Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24591
- Core Entity Id
- 30524
- Source Entity Count
- 1
- Preferred Name
- Lignoceryl ferulate
- Name En
- Pubchem Id
- 14238617
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC
- Molecular Formula
- C34H58O4
- Molecular Weight
- 530.8340
- Inchikey
- VUUWEVURXOCTGG-BYCLXTJYSA-N
- Inchi
- InChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-32(35)33(30-31)37-2/h25-28,30,35H,3-24,29H2,1-2H3/b28-26+
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
- Cas Id
- Ob Score
- 14.3710
- Mol Logp
- 10.5593
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 26
- Drug Likeness
- 0.0730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lignoceryl Ferulate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lignoceryl ferulate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lignoceryl ferulate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lignoceryl ferulate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
101927-25-7
Role
alias
Source
HERB_v2
Preferred
No
Name
101927-25-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4083004
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4083004
Role
alias
Source
HERB_v2
Preferred
No
Name
Tetracosyl ferulic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Tetracosyl ferulic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
tetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
tetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
tetracosyl ferulate
Role
alias
Source
HERB_v2
Preferred
No
Name
tetracosyl ferulate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
101927-25-7CHEMBL4083004Tetracosyl ferulic acidtetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoatetetracosyl ferulate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033172
Npass
NPC190070
Tcmid
12795
Tcmsp
MOL011082
Sym Map
SMIT00804
Tcm Id
2980
Pub Chem
14238617
Tcmbank
TCMBANKIN043597
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-32(35)33(30-31)37-2/h25-28,30,35H,3-24,29H2,1-2H3/b28-26+
Mol Wt
530.8340000000003
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC
Mol Log P
10.55929999999999
Version
v1,v2
In Ch Ikey
VUUWEVURXOCTGG-BYCLXTJYSA-N
Ob Score
14.37114.3714305314.371431
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/12801.mol2
Reference
2529
Num Hdonors
1
Drug Likeness
0.073
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
Molecule Weight
530.92
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC
Herb Alias Names
tetracosyl ferulatetetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateTetracosyl ferulic acidCHEMBL4083004101927-25-7
Molecular Weight
530.8 g/mol
Molecule Formula
C34H58O4
Molecular Formula
C34H58O4
Molecular Formula
C34H58O4
Num Rotatable Bonds
26