Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24187
- Core Entity Id
- 30069
- Source Entity Count
- 1
- Preferred Name
- Lanyuamide ii
- Name En
- Pubchem Id
- 5318940
- Smiles Canonical
- CCC(=O)CCC=CCCC=CC=CC(=O)NCC(C)C
- Molecular Formula
- C18H29NO2
- Molecular Weight
- 291.4350
- Inchikey
- FUSIHPXPVQSRQH-RLMPMMINSA-N
- Inchi
- InChI=1S/C18H29NO2/c1-4-17(20)13-11-9-7-5-6-8-10-12-14-18(21)19-15-16(2)3/h7-10,12,14,16H,4-6,11,13,15H2,1-3H3,(H,19,21)/b9-7-,10-8+,14-12+
- Isomeric Smiles
- CCC(=O)CC/C=C\CC/C=C/C=C/C(=O)NCC(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.9667
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.2710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lanyuamide ii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lanyuamide ii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lanyuamide ii
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2E,4E,8Z)-N-((2S)-Butan-2-yl)-12-oxotetradeca-2,4,8-trienimidate
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E,8Z)-N-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E,8Z)-N-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,4E,8Z)-N-[(2S)-Butan-2-yl]-12-oxotetradeca-2,4,8-trienimidate
Role
alias
Source
itcmdb_public
Preferred
No
Name
249898-39-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
249898-39-3
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL480492
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL480492
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL26131291
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL26131291
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E,4E,8Z)-N-((2S)-Butan-2-yl)-12-oxotetradeca-2,4,8-trienimidate(2E,4E,8Z)-N-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide(2E,4E,8Z)-N-[(2S)-Butan-2-yl]-12-oxotetradeca-2,4,8-trienimidate249898-39-3CHEMBL480492SCHEMBL26131291
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032645
Npass
NPC6795
Tcmid
12494
Pub Chem
5318940
Tcmbank
TCMBANKIN038980
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H29NO2/c1-4-17(20)13-11-9-7-5-6-8-10-12-14-18(21)19-15-16(2)3/h7-10,12,14,16H,4-6,11,13,15H2,1-3H3,(H,19,21)/b9-7-,10-8+,14-12+
Mol Wt
291.4350000000001
Smiles
CCC(=O)CCC=CCCC=CC=CC(=O)NCC(C)C
Mol Log P
3.966700000000003
In Ch Ikey
FUSIHPXPVQSRQH-RLMPMMINSA-N
Mol2 Path
/TCM_database/2007_3d_all/12499.mol2
Reference
2176, 2360
Num Hdonors
1
Drug Likeness
0.271
Num Hacceptors
2
Isomeric Smiles
CCC(=O)CC/C=C\CC/C=C/C=C/C(=O)NCC(C)C
Canonical Smiles
CCC(=O)CCC=CCCC=CC=CC(=O)NCC(C)C
Herb Alias Names
(2E,4E,8Z)-N-((2S)-Butan-2-yl)-12-oxotetradeca-2,4,8-trienimidate(2E,4E,8Z)-N-[(2S)-Butan-2-yl]-12-oxotetradeca-2,4,8-trienimidateCHEMBL480492SCHEMBL26131291(2E,4E,8Z)-N-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide249898-39-3
Molecular Weight
291.4 g/mol
Molecular Formula
C18H29NO2
Molecular Formula
C18H29NO2
Num Rotatable Bonds
11