Summary

IMPPAT Phytochemical identifier: IMPHY014970

Phytochemical name: Carpoxanthin

Synonymous chemical names:
karpoxanthin

External chemical identifiers:
CID:131751643

---

Chemical structure information

SMILES:
C/C(=CC=C/C=C(/C=CC=C(/C=C/C1(O)C(C)(C)CC(CC1(C)O)O)C)C)/C=CC=C(/C=C/C1=C(C)CC(CC1(C)C)O)C

InChI:
InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11-,17-13-,18-14-,22-21+,24-23+,29-15+,30-16+,31-19-,32-20-

InChIKey:
DJOWTWWHMWQATC-CRLQYGKHSA-N

DeepSMILES:
C/C=CC=C/C=C/C=CC=C/C=C/CO)CC)C)CCCC6C)O)))O)))))))C)))))C))))))/C=CC=C/C=C/C=CC)CCCC6C)C)))O)))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=CC=CC=CC=CC=CC1CCCCC1)C=CC=CC=CC=CC1=CCCCC1

Scaffold Graph/Node level:
C(CCCCCCCCCC1CCCCC1)CCCCCCCCC1CCCCC1

Scaffold Graph level:
C(CCCCCCCCCC1CCCCC1)CCCCCCCCC1CCCCC1

---

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: 1.993

---

Chemical structure download