Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24282
- Core Entity Id
- 30176
- Source Entity Count
- 1
- Preferred Name
- Lauric anhydride
- Name En
- Pubchem Id
- 69527
- Smiles Canonical
- CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
- Molecular Formula
- C24H46O3
- Molecular Weight
- 382.6290
- Inchikey
- NWADXBLMWHFGGU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H46O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
- Cas Id
- 645-66-9
- Ob Score
- 18.3046
- Mol Logp
- 7.8980
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 20
- Drug Likeness
- 0.1220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lauric Anhydride
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Lauric Anhydride
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lauric anhydride
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lauric anhydride
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lauric anhydride
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lauric anhydride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
286486_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
645-66-9
Role
alias
Source
HERB_v2
Preferred
No
Name
645-66-9
Role
alias
Source
TCMBank
Preferred
No
Name
645-66-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dodecanoic acid, anhydride
Role
alias
Source
HERB_v2
Preferred
No
Name
Dodecanoic acid, anhydride
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dodecanoic acid, anhydride
Role
alias
Source
TCMBank
Preferred
No
Name
Dodecanoic anhydride
Role
alias
Source
TCMBank
Preferred
No
Name
Dodecanoic anhydride
Role
alias
Source
HERB_v2
Preferred
No
Name
Dodecanoic anhydride
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 211-449-9
Role
alias
Source
TCMBank
Preferred
No
Name
KHD3D6L8XQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
KHD3D6L8XQ
Role
alias
Source
HERB_v2
Preferred
No
Name
L1632_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Lauroyl anhydride
Role
alias
Source
TCMBank
Preferred
No
Name
Lauroyl anhydride
Role
alias
Source
HERB_v2
Preferred
No
Name
Lauroyl anhydride
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00008965
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00008965
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC293871
Role
alias
Source
TCMBank
Preferred
No
Name
dodecanoic acid 1-oxododecyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
dodecanoyl dodecanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
dodecanoyl dodecanoate
Role
alias
Source
TCMBank
Preferred
No
Name
dodecanoyl dodecanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
lauric acid anhydride
Role
alias
Source
HERB_v2
Preferred
No
Name
lauric acid anhydride
Role
alias
Source
itcmdb_public
Preferred
No
Name
lauric acid lauroyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
n-dodecanoic anhydride
Role
alias
Source
HERB_v2
Preferred
No
Name
n-dodecanoic anhydride
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
286486_ALDRICH645-66-9Dodecanoic acid, anhydrideDodecanoic anhydrideEINECS 211-449-9KHD3D6L8XQL1632_SIGMALauroyl anhydrideMFCD00008965NSC293871dodecanoic acid 1-oxododecyl esterdodecanoyl dodecanoatelauric acid anhydridelauric acid lauroyl estern-dodecanoic anhydride
Cross References
Trusted external identifiers retained for this final record.
Cas
645-66-9
Herb
HBIN032758
Npass
NPC12156
Tcmid
33529
Tcmsp
MOL005135
Sym Map
SMIT06936
Pub Chem
69527
Tcmbank
TCMBANKIN002565
Etcm Ingredient
Lauric anhydride
Itcmdb Generated
ITX-INGREDIENT-DA5CF391E482
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C24H46O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
Mol Wt
382.6290000000003
Cas Id
645-66-9
Smiles
CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
Mol Log P
7.898000000000009
Version
v1,v2
In Ch Ikey
NWADXBLMWHFGGU-UHFFFAOYSA-N
Ob Score
18.3045897618.3045918.305
Suppress
0
Num Hdonors
0
Drug Likeness
0.122
Num Hacceptors
3
Isomeric Smiles
CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
Molecule Weight
382.7
Canonical Smiles
CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
Herb Alias Names
645-66-9Dodecanoic anhydridedodecanoyl dodecanoateLauroyl anhydrideDodecanoic acid, anhydrideMFCD00008965lauric acid anhydriden-dodecanoic anhydrideKHD3D6L8XQ
Molecular Weight
382.340
Molecular Weight
382.62
Molecular Formula
C24H46O3
Molecular Formula
C24H46O3
Molecular Formula
C24H46O3
Num Rotatable Bonds
20
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.122