Echinenone
precursor
Showing entry for Echinenone
Identification
- PhytoHub ID
- PHUB000357
- Name
- Echinenone
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 550.871
- Monoisotopic Mass
- 550.417466359
- Chemical Formula
- C40H54O
- IUPAC Name
- echinenone
- InChI Key
- QXNWZXMBUKUYMD-QQGJMDNJSA-N
- InChI Identifier
InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
- SMILES
C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 4.61e-04 g/l
- LogS (ALOGPS)
- -6.08
- LogP (ALOGPS)
- 9.22
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 10
- Polar Surface Area
- 17.07
- Refractivity
- 192.3050000000001
- Polarizability
- 71.92599472249839
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.751393805702507
- pKa (strongest acidic)
- 19.890319822432105
Taxonomy
- Family
- Terpenoids
- Class
- Carotenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Algae | Aquatic foods | Publications | Show |
Metabolism
No metabolism information available
Echinenone