IngredientID 28049

Tetracosanoic acid

C24H48O2

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Herb: 12Ingredient: 1Target: 3Links: 15

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 28049
Core Entity Id: 34363
Source Entity Count: 1
Preferred Name: Tetracosanoic acid
Name En
Pubchem Id: 11197
Smiles Canonical: C([H])([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])C([H])([ H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H]
Molecular Formula: C24H48O2
Molecular Weight: 368.6460
Inchikey: QZZGJDVWLFXDLK-UHFFFAOYSA-N
Inchi: InChI=1S/C24H48O2/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/h2-23H2,1H3,(H,25,26)
Isomeric Smiles: CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Cas Id
Ob Score: 14.9036
Mol Logp: 8.6731
Num H Donors: 1
Num H Acceptors: 1
Num Rotatable Bonds: 22
Drug Likeness: 0.1940
Polar Surface Area: 37.0000
Molecular Volume: 299.0000
Alogp: 10.0000

Names

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

Name

Tetracosanoic Acid

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

N-tetracosanoic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

N-tetracosanoic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Tetracosanoic Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Tetracosanoic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Tetracosanoic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

n-Tetracosanoic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

tetracosanoic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

羌活; 当归; 防风; 柴胡; 毛柱马钱; 漓江前胡; 栝楼

Role

TCM_name

Source

TCMBank

Preferred

Name

QIANG HUO; DANG GUI; FANG FENG; CHAI HU; MAO ZHU MA QIAN; LI JIANG QIAN HU; GUA LOU

Role

TCM_name2

Source

TCMBank

Preferred

Name

Incised Notopterygium; Chinese AngeIica; Divaricate Saposhnikovia; Chinese Thorowax; HairstyIe Poisonnut; Likiang Hogfennel; Mongolian Snakegourd

Role

TCM_name_en

Source

TCMBank

Preferred

Name

46927-71-3

Role

alias

Source

SymMap_v2

Preferred

Name

46927-71-3

Role

alias

Source

TCMBank

Preferred

Name

557-59-5

Role

alias

Source

itcmdb_public

Preferred

Name

557-59-5

Role

alias

Source

HERB_v2

Preferred

Name

AC1NUU2A

Role

alias

Source

SymMap_v2

Preferred

Name

AC1NUU2A

Role

alias

Source

TCMBank

Preferred

Name

CH3-[CH2]22-COO(-)

Role

alias

Source

TCMBank

Preferred

Name

CH3-[CH2]22-COO(-)

Role

alias

Source

SymMap_v2

Preferred

Name

CHEBI:31014

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:31014

Role

alias

Source

SymMap_v2

Preferred

Name

Carnaubic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Carnaubic acid

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID80420121

Role

alias

Source

TCMBank

Preferred

Name

DTXSID80420121

Role

alias

Source

SymMap_v2

Preferred

Name

Lignocerat

Role

alias

Source

TCMBank

Preferred

Name

Lignocerat

Role

alias

Source

SymMap_v2

Preferred

Name

Lignoceric acid

Role

alias

Source

itcmdb_public

Preferred

Name

Lignoceric acid

Role

alias

Source

HERB_v2

Preferred

Name

Lignozerinsaeure

Role

alias

Source

itcmdb_public

Preferred

Name

Lignozerinsaeure

Role

alias

Source

HERB_v2

Preferred

Name

N-TETRACOSANOIC ACID

Role

alias

Source

itcmdb_public

Preferred

Name

N-TETRACOSANOIC ACID

Role

alias

Source

HERB_v2

Preferred

Name

Tetracosanoat

Role

alias

Source

TCMBank

Preferred

Name

Tetracosanoat

Role

alias

Source

SymMap_v2

Preferred

Name

Tetracosanoic acid

Role

alias

Source

HERB_v2

Preferred

Name

Tetracosanoic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Tetracosansaeure

Role

alias

Source

itcmdb_public

Preferred

Name

Tetracosansaeure

Role

alias

Source

HERB_v2

Preferred

Name

UNII-RK3VCW5Y1L

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-RK3VCW5Y1L

Role

alias

Source

HERB_v2

Preferred

Name

lignocerate

Role

alias

Source

SymMap_v2

Preferred

Name

lignocerate

Role

alias

Source

TCMBank

Preferred

Name

n-tetracosanoate

Role

alias

Source

TCMBank

Preferred

Name

n-tetracosanoate

Role

alias

Source

SymMap_v2

Preferred

Name

tetracosanate

Role

alias

Source

SymMap_v2

Preferred

Name

tetracosanate

Role

alias

Source

TCMBank

Preferred

Name

tetracosanic acid

Role

alias

Source

itcmdb_public

Preferred

Name

tetracosanic acid

Role

alias

Source

HERB_v2

Preferred

Name

tetracosanoate

Role

alias

Source

SymMap_v2

Preferred

Name

tetracosanoate

Role

alias

Source

TCMBank

Preferred

Name

tetracosoate

Role

alias

Source

TCMBank

Preferred

Name

tetracosoate

Role

alias

Source

SymMap_v2

Preferred

Name

tetracosoic acid

Role

alias

Source

HERB_v2

Preferred

Name

tetracosoic acid

Role

alias

Source

itcmdb_public

Preferred

Name

tetraeicosanoate

Role

alias

Source

SymMap_v2

Preferred

Name

tetraeicosanoate

Role

alias

Source

TCMBank

Preferred

Name

lignoseric acid;tetracosanoic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

白扁豆;前胡

Role

TCM_name

Source

TCMBank

Preferred

Name

Peucedanum praeruptorum

Role

TCM_name2

Source

TCMBank

Preferred

Name

Dolichos lablab;QIAN HU

Role

TCM_name_en

Source

TCMBank

Preferred

Name

13.补虚药(60-62)

Role

level1_name

Source

TCMBank

Preferred

Name

tonifying and replenishing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

1.补气药(15-15)

Role

level2_name

Source

TCMBank

Preferred

Name

qi-tonifying medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Name

Lignoceric Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

lignoceric acid

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

柴胡(北柴胡)

Role

TCM_name

Source

TCMBank

Preferred

Name

CHAI HU

Role

TCM_name2

Source

TCMBank

Preferred

Name

Chinese Thorowax

Role

TCM_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

N-tetracosanoic acid羌活; 当归; 防风; 柴胡; 毛柱马钱; 漓江前胡; 栝楼QIANG HUO; DANG GUI; FANG FENG; CHAI HU; MAO ZHU MA QIAN; LI JIANG QIAN HU; GUA LOUIncised Notopterygium; Chinese AngeIica; Divaricate Saposhnikovia; Chinese Thorowax; HairstyIe Poisonnut; Likiang Hogfennel; Mongolian Snakegourd46927-71-3557-59-5AC1NUU2ACH3-[CH2]22-COO(-)CHEBI:31014Carnaubic acidDTXSID80420121LignoceratLignoceric acidLignozerinsaeureTetracosanoatTetracosansaeureUNII-RK3VCW5Y1Llignoceraten-tetracosanoatetetracosanatetetracosanic acidtetracosanoatetetracosoatetetracosoic acidtetraeicosanoatelignoseric acid;tetracosanoic acid白扁豆;前胡Peucedanum praeruptorumDolichos lablab;QIAN HU13.补虚药(60-62)tonifying and replenishing medicinal1.补气药(15-15)qi-tonifying medicinal柴胡(北柴胡)CHAI HUChinese Thorowax

Cross References

Trusted external identifiers retained for this final record.

Cas

557-59-5

Hit

C0593

Herb

HBIN033170HBIN037523HBIN046021

Npass

NPC165967NPC56913

Tcmid

1279423239246593200937270

Tcmsp

MOL000663

Sym Map

SMIT00065SMIT02548SMIT18671

Tcm Id

2981556

Pub Chem

111975461021

Tcmbank

TCMBANKIN023676TCMBANKIN057371TCMBANKIN061128TCMBANKIN051741TCMBANKIN052187

Etcm Ingredient

lignoceric acid

Itcmdb Generated

ITX-INGREDIENT-24BF9BC9B739ITX-INGREDIENT-F4B4D5886C70ITX-INGREDIENT-DE35AB577D5BITX-INGREDIENT-F3B0D651580B

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

Alog P

In Ch I

InChI=1S/C24H48O2/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/h2-23H2,1H3,(H,25,26)

Mol Wt

368.6460000000001

Smiles

C([H])([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])C([H])([ H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H]CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]

37 Flag

C Count

Mol Log P

8.673100000000005

N Count

O Count

P Count

S Count

Version

v1,v2

In Ch Ikey

QZZGJDVWLFXDLK-UHFFFAOYSA-N

Ob Score

14.903559

Suppress

Tcm Name

羌活; 当归; 防风; 柴胡; 毛柱马钱; 漓江前胡; 栝楼

Tcm Name2

QIANG HUO; DANG GUI; FANG FENG; CHAI HU; MAO ZHU MA QIAN; LI JIANG QIAN HU; GUA LOU

Mol2 Path

/TCM_database/2003_3d_all/8268.mol2

Reference

2557576

Num Hdonors

Tcm Name En

Incised Notopterygium; Chinese AngeIica; Divaricate Saposhnikovia; Chinese Thorowax; HairstyIe Poisonnut; Likiang Hogfennel; Mongolian Snakegourd

Level1 Name

13.补虚药(60-62)

Level2 Name

1.补气药(15-15)

Num H Donors

Drug Likeness

0.194

Num Hacceptors

Level1 Name En

tonifying and replenishing medicinal

Level2 Name En

qi-tonifying medicinal

Isomeric Smiles

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Molecule Weight

368.72

Num H Acceptors

Canonical Smiles

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Herb Alias Names

Lignoceric acidTetracosanoic acid557-59-5LignozerinsaeureTetracosansaeureCarnaubic acidtetracosoic acidtetracosanic acidUNII-RK3VCW5Y1L

Molecular Weight

368.370

Molecular Volume

299

Molecular Weight

367.6 g/mol368.64 g/mol

Molecule Formula

C24H48O2

Molecular Formula

C24H48O2

Molecular Formula

C24H47O2-C24H48O2

Molecular Formula

C24H48O2

Num Rotatable Bonds

Link Ingredient Id

65.0

Num Rotatable Bonds

Molecular Polar Surface Area

Fda Maximum Daily Dose (Fdamdd)

0.013

Quantitative Estimate Of Drug Likeness（Qed）

0.194