ITCMDBv1
IngredientID 21391

Hexacosanyl ferulate

C36H62O4

Back to Browse

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab
Herb: 5Ingredient: 1Links: 5
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
21391
Core Entity Id
26964
Source Entity Count
1
Preferred Name
Hexacosanyl ferulate
Name En
Pubchem Id
5318033
Smiles Canonical
C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])OC(=O)\C([H] )=C([H])\c1c([H])c([H])c(O[H])c(OC([H])([H])[H])c1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
Molecular Formula
C36H62O4
Molecular Weight
558.8880
Inchikey
LMNZEDXMWAJKBB-SJCQXOIGSA-N
Inchi
InChI=1S/C36H62O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-40-36(38)30-28-33-27-29-34(37)35(32-33)39-2/h27-30,32,37H,3-26,31H2,1-2H3/b30-28+
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
Cas Id
Ob Score
Mol Logp
11.3395
Num H Donors
1
Num H Acceptors
4
Num Rotatable Bonds
28
Drug Likeness
0.0630
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Hexacosanyl Ferulate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hexacosanyl ferulate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hexacosanyl ferulate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hexacosanyl ferulate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
剑叶龙血树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAN YE LONG XUE SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Swordleaf Dracaena
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
63034-29-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
63034-29-7
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS022184636
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS022184636
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-64124
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-64124
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-8903
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-8903
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N4046
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N4046
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexacosyl (E)-ferulate
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexacosyl trans-ferulate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexacosyl trans-ferulate
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexacosyl(E)-ferulate
Role
alias
Source
itcmdb_public
Preferred
No
Name
hexacosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
hexacosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
hexacosylferulate
Role
alias
Source
itcmdb_public
Preferred
No
Name
hexacosylferulate
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Hexacosyl trans-ferulate
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Hexacosyl trans-ferulate
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

剑叶龙血树JIAN YE LONG XUE SHUSwordleaf Dracaena63034-29-7AKOS022184636DA-64124FS-8903HY-N4046Hexacosyl (E)-ferulateHexacosyl trans-ferulateHexacosyl(E)-ferulatehexacosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoatehexacosylferulaten-Hexacosyl trans-ferulate

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN029248
Npass
NPC281517
Tcmid
358789481
Sym Map
SMIT15743
Pub Chem
5318033
Tcmbank
TCMBANKIN050812
Itcmdb Generated
ITX-INGREDIENT-973DDD0FC58C

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C36H62O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-40-36(38)30-28-33-27-29-34(37)35(32-33)39-2/h27-30,32,37H,3-26,31H2,1-2H3/b30-28+
Mol Wt
558.8880000000004
Smiles
C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])OC(=O)\C([H] )=C([H])\c1c([H])c([H])c(O[H])c(OC([H])([H])[H])c1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
Mol Log P
11.33949999999999
Version
v1,v2
In Ch Ikey
LMNZEDXMWAJKBB-SJCQXOIGSA-N
Suppress
0
Tcm Name
剑叶龙血树
Tcm Name2
JIAN YE LONG XUE SHU
Mol2 Path
/TCM_database/2003_3d_all/3818.mol2
Reference
616
Num Hdonors
1
Tcm Name En
Swordleaf Dracaena
Drug Likeness
0.063
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC
Herb Alias Names
Hexacosyl (E)-ferulate63034-29-7hexacosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateHexacosyl(E)-ferulatehexacosylferulateHexacosyl trans-ferulaten-Hexacosyl trans-ferulaten-Hexacosyl trans-ferulateHY-N4046AKOS022184636FS-8903DA-64124
Molecule Formula
C36H62O4
Molecular Formula
C36H62O4
Molecular Formula
C36H62O4
Num Rotatable Bonds
28