Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33146
- Core Entity Id
- 40036
- Source Entity Count
- 1
- Preferred Name
- Sertularamide
- Name En
- Pubchem Id
- 5321273
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O
- Molecular Formula
- C41H81NO3
- Molecular Weight
- 636.1030
- Inchikey
- NAJHAHQNQCNWOP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45)
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O
- Cas Id
- Ob Score
- Mol Logp
- 12.2937
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 37
- Drug Likeness
- 0.0470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sertularamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sertularamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sertularamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sertularamide
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043796
Npass
NPC181817
Tcmid
19761
Pub Chem
5321273
Tcmbank
TCMBANKIN018204
Etcm Ingredient
Sertularamide
Itcmdb Generated
ITX-INGREDIENT-CEED2E36435F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45)
Mol Wt
636.103
Smiles
CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O
Mol Log P
12.29369999999998
In Ch Ikey
NAJHAHQNQCNWOP-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.047
Num Hacceptors
3
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O
Molecular Weight
1070.110
Molecular Formula
C72H143NO3
Molecular Formula
C41H81NO3
Molecular Formula
C41H81NO3
Num Rotatable Bonds
37
Fda Maximum Daily Dose (Fdamdd)
0.096
Quantitative Estimate Of Drug Likeness（Qed）
0.042