Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67235
- Core Entity Id
- 129884
- Source Entity Count
- 1
- Preferred Name
- 24-Methylenecycloartanol ferulate
- Name En
- Pubchem Id
- 9920169
- Smiles Canonical
- CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C
- Molecular Formula
- C41H60O4
- Molecular Weight
- 616.4500
- Inchikey
- JBSUVXVGZSMGDJ-YVMHCORFSA-N
- Inchi
- InChI=1S/C41H60O4/c1-26(2)27(3)10-11-28(4)30-18-20-39(8)34-16-15-33-37(5,6)35(19-21-40(33)25-41(34,40)23-22-38(30,39)7)45-36(43)17-13-29-12-14-31(42)32(24-29)44-9/h12-14,17,24,26,28,30,33-35,42H,3,10-11,15-16,18-23,25H2,1-2,4-9H3/b17-13+/t28-,30-,33+,34+,35+,38-,39+,40-,41+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 12.6000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 55.8000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
24-Methylenecycloartanol ferulate
Itcmdb Generated
ITX-INGREDIENT-8813BDE3BEEA
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
616.450
Molecular Formula
C41H60O4
Fda Maximum Daily Dose (Fdamdd)
0.865
Quantitative Estimate Of Drug Likeness（Qed）
0.170