Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69790
- Core Entity Id
- 132439
- Source Entity Count
- 1
- Preferred Name
- Aconicarmine
- Name En
- Pubchem Id
- 177827427
- Smiles Canonical
- CCN1CC2(CCC(C34C2CC(C31)C56C4C(C(CC5)C(C6O)(CO)O)O)O)C
- Molecular Formula
- C22H35NO5
- Molecular Weight
- 393.2500
- Inchikey
- VYMVEAHRFXDSPB-RBEANTAYSA-N
- Inchi
- InChI=1S/C22H35NO5/c1-3-23-9-19(2)6-5-14(25)22-13(19)8-12(17(22)23)20-7-4-11(15(26)16(20)22)21(28,10-24)18(20)27/h11-18,24-28H,3-10H2,1-2H3/t11?,12?,13?,14-,15-,16?,17?,18-,19-,20?,21-,22+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.3000
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 104.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aconicarmine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Aconicarmine
Itcmdb Generated
ITX-INGREDIENT-59D668F9C066
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
393.250
Molecular Formula
C22H35NO5
Fda Maximum Daily Dose (Fdamdd)
0.860
Quantitative Estimate Of Drug Likeness（Qed）
0.451