Identification

PhytoHub ID
PHUB000365
Name
Mutatochrome
Synonyms
  • carotene 5,8-epoxide (beta-)
CAS Number
Not Available
Average Mass
552.887
Monoisotopic Mass
552.433116423
Chemical Formula
C40H56O
IUPAC Name
mutatochrome
InChI Key
GFPJSSAOISEBQL-FZKBJVJCSA-N
InChI Identifier
InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-22,24-25,29,36H,15-16,23,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+
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)C1OC2(C)CCCC(C)(C)C2=C1
Structure

Calculated Properties

Solubility (ALOGPS)
3.22e-04 g/l
LogS (ALOGPS)
-6.24
LogP (ALOGPS)
9.72
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
9
Polar Surface Area
9.23
Refractivity
190.2183000000001
Polarizability
72.05343476780894
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.272741089576406
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

NameGroup
PapayaFruit, Tropical fruits PublicationsShow
Sweet orangeFruit, Citrus PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow

Metabolism

No metabolism information available

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