Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 19Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71201
- Core Entity Id
- 133850
- Source Entity Count
- 1
- Preferred Name
- Cyclolinopeptide A
- Name En
- Pubchem Id
- 20407213
- Smiles Canonical
- CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)CC(C)C)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(C)C)CC(C)C
- Molecular Formula
- C57H85N9O9
- Molecular Weight
- 1039.6500
- Inchikey
- DTEHCBOGAUCOJT-KZUCXXACSA-N
- Inchi
- InChI=1S/C57H85N9O9/c1-11-37(10)48-55(73)61-40(28-33(2)3)49(67)62-44(30-35(6)7)56(74)66-27-19-25-46(66)57(75)65-26-18-24-45(65)53(71)60-43(32-39-22-16-13-17-23-39)51(69)59-42(31-38-20-14-12-15-21-38)50(68)58-41(29-34(4)5)52(70)63-47(36(8)9)54(72)64-48/h12-17,20-23,33-37,40-48H,11,18-19,24-32H2,1-10H3,(H,58,68)(H,59,69)(H,60,71)(H,61,73)(H,62,67)(H,63,70)(H,64,72)/t37-,40+,41-,42+,43-,44-,45-,46?,47-,48-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.8000
- Num H Donors
- 7
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 13
- Drug Likeness
- Polar Surface Area
- 244.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyclolinopeptide A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Cyclolinopeptide A
Itcmdb Generated
ITX-INGREDIENT-10C6515D7754
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
1039.650
Molecular Formula
C57H85N9O9
Fda Maximum Daily Dose (Fdamdd)
0.947
Quantitative Estimate Of Drug Likeness（Qed）
0.155