Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15194
- Core Entity Id
- 20053
- Source Entity Count
- 1
- Preferred Name
- Cordycepeptide a
- Name En
- Pubchem Id
- 5316064
- Smiles Canonical
- CCCCC(C)CC1C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)N1)C)CC2=CC=CC=C2)C(C)C
- Molecular Formula
- C27H41N3O5
- Molecular Weight
- 487.6410
- Inchikey
- DAWAFKBGVLXVTN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C27H41N3O5/c1-6-7-11-18(4)14-22-27(34)35-23(17(2)3)16-24(31)29-21(15-20-12-9-8-10-13-20)26(33)28-19(5)25(32)30-22/h8-10,12-13,17-19,21-23H,6-7,11,14-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)
- Isomeric Smiles
- CCCCC(C)CC1C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)N1)C)CC2=CC=CC=C2)C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.8913
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.4880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cordycepeptide A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cordycepeptide a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cordycepeptide a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cordycepeptide a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021458
Npass
NPC111296
Tcmid
4047
Pub Chem
5316064
Tcmbank
TCMBANKIN030647
Etcm Ingredient
Cordycepeptide A
Itcmdb Generated
ITX-INGREDIENT-9C3EA1CF7275
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H41N3O5/c1-6-7-11-18(4)14-22-27(34)35-23(17(2)3)16-24(31)29-21(15-20-12-9-8-10-13-20)26(33)28-19(5)25(32)30-22/h8-10,12-13,17-19,21-23H,6-7,11,14-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)
Mol Wt
487.6410000000002
Smiles
CCCCC(C)CC1C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)N1)C)CC2=CC=CC=C2)C(C)C
Mol Log P
2.891300000000002
In Ch Ikey
DAWAFKBGVLXVTN-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.488
Num Hacceptors
5
Isomeric Smiles
CCCCC(C)CC1C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)N1)C)CC2=CC=CC=C2)C(C)C
Canonical Smiles
CCCCC(C)CC1C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)N1)C)CC2=CC=CC=C2)C(C)C
Molecular Weight
487.300
Molecular Formula
C27H41N3O5
Molecular Formula
C27H41N3O5
Molecular Formula
C27H41N3O5
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.246
Quantitative Estimate Of Drug Likeness（Qed）
0.488