Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67237
- Core Entity Id
- 129886
- Source Entity Count
- 1
- Preferred Name
- 24-Methyllophenol
- Name En
- Pubchem Id
- 157009886
- Smiles Canonical
- CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCC(C)C(C)C)C)C)O
- Molecular Formula
- C29H50O
- Molecular Weight
- 414.3900
- Inchikey
- AOQRDALGACAKHI-FNWVONLGSA-N
- Inchi
- InChI=1S/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18-21,23-27,30H,8-9,11-17H2,1-7H3/t19?,20-,21+,23-,24+,25?,26?,27+,28-,29+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 9.0000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
24-Methyllophenol
Itcmdb Generated
ITX-INGREDIENT-57E315D7BBC9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
414.390
Molecular Formula
C29H50O
Fda Maximum Daily Dose (Fdamdd)
0.023
Quantitative Estimate Of Drug Likeness（Qed）
0.454