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
- 32630
- Core Entity Id
- 39459
- Source Entity Count
- 1
- Preferred Name
- Sarmentamide c
- Name En
- Pubchem Id
- 11514809
- Smiles Canonical
- COC1=CC(=C(C=C1C=CC(=O)N2CCCC2)OC)OC
- Molecular Formula
- C16H21NO4
- Molecular Weight
- 291.3470
- Inchikey
- CUIVKXVMMSFHFP-VOTSOKGWSA-N
- Inchi
- InChI=1S/C16H21NO4/c1-19-13-11-15(21-3)14(20-2)10-12(13)6-7-16(18)17-8-4-5-9-17/h6-7,10-11H,4-5,8-9H2,1-3H3/b7-6+
- Isomeric Smiles
- COC1=CC(=C(C=C1/C=C/C(=O)N2CCCC2)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.3480
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sarmentamide c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sarmentamide c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sarmentamide c
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043166
Npass
NPC217954
Tcmid
19355
Pub Chem
11514809
Tcmbank
TCMBANKIN044914
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H21NO4/c1-19-13-11-15(21-3)14(20-2)10-12(13)6-7-16(18)17-8-4-5-9-17/h6-7,10-11H,4-5,8-9H2,1-3H3/b7-6+
Mol Wt
291.347
Smiles
COC1=CC(=C(C=C1C=CC(=O)N2CCCC2)OC)OC
Mol Log P
2.348
In Ch Ikey
CUIVKXVMMSFHFP-VOTSOKGWSA-N
Mol2 Path
/TCM_database/2007_3d_all/19370.mol2
Reference
973
Num Hdonors
0
Drug Likeness
0.781
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=C(C=C1/C=C/C(=O)N2CCCC2)OC)OC
Canonical Smiles
COC1=CC(=C(C=C1C=CC(=O)N2CCCC2)OC)OC
Molecular Formula
C16H21NO4
Molecular Formula
C16H21NO4
Num Rotatable Bonds
5