precursor

Showing entry for Neurosporene

Identification

PhytoHub ID
PHUB000459
Name
Neurosporene
Synonyms
Not Available
CAS Number
Not Available
Average Mass
538.8885
Monoisotopic Mass
538.453851856
Chemical Formula
C40H58
IUPAC Name
neurosporene
InChI Key
ATCICVFRSJQYDV-XILUKMICSA-N
InChI Identifier
InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C
Structure
MOLSDFPDBSMILESInChI

Calculated Properties

Solubility (ALOGPS)
3.66e-04 g/l
LogS (ALOGPS)
-6.17
LogP (ALOGPS)
9.28
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
17
Polar Surface Area
0
Refractivity
196.6894
Polarizability
74.17194331874046
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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