Summary

IMPPAT Phytochemical identifier: IMPHY005980

Phytochemical name: Mutatoxanthin

Synonymous chemical names:
mutatoxanthin

External chemical identifiers:
CID:5376325, SureChEMBL:SCHEMBL2958237

---

Chemical structure information

SMILES:
C/C(=CC=CC=C(C=CC=C(C1C=C2C(O1)(C)CC(CC2(C)C)O)/C)/C)/C=C/C=C(/C=C/C1=C(C)CC(CC1(C)C)O)C

InChI:
InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-22,24,33-34,36,41-42H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+

InChIKey:
IFYMEZNJCAQUME-OMSIYMKDSA-N

DeepSMILES:
C/C=CC=CC=CC=CC=CCC=CCO5)C)CCCC6C)C)))O)))))))/C)))))/C))))))/C=C/C=C/C=C/C=CC)CCCC6C)C)))O)))))))C

Functional groups:
CC(C)=C(C)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)C, CC=C(C)C, CO, COC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(C=CC=CC=CC=CC1C=C2CCCCC2O1)=CC=CC=CC=CC1=CCCCC1

Scaffold Graph/Node level:
C(CCCCCCCCC1CC2CCCCC2O1)CCCCCCCC1CCCCC1

Scaffold Graph level:
C(CCCCCCCCC1CC2CCCCC2C1)CCCCCCCC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Tetraterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Carotenoids (C40)

NP Classifier Class: Carotenoids (C40, β-β)

NP-Likeness score: 2.194

---

Chemical structure download