Summary

IMPPAT Phytochemical identifier: IMPHY006728

Phytochemical name: Indicaxanthin

Synonymous chemical names:
indicaxanthin

External chemical identifiers:
CID:441617

---

Chemical structure information

SMILES:
OC(=O)[C@@H]1CC(=C/C=[N+]/2CCC[C@H]2C(=O)[O-])C=C(N1)C(=O)O

InChI:
InChI=1S/C14H16N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,5-6,10-11H,1-2,4,7H2,(H3,17,18,19,20,21,22)/t10-,11-/m0/s1

InChIKey:
RJIIQBYZGJSODH-QWRGUYRKSA-N

DeepSMILES:
OC=O)[C@@H]CC=C/C=[N+]CCC[C@H]5C=O)[O-])))))))))C=CN6)C=O)O

Functional groups:
C/[N+](C)=CC=C1C=C(C(=O)O)NCC1, CC(=O)O, CC(=O)[O-]

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC(=CC=[N+]2CCCC2)CCN1

Scaffold Graph/Node level:
C1CCN(CCC2CCNCC2)C1

Scaffold Graph level:
C1CCC(CCC2CCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP-Likeness score: 2.084

---

Chemical structure download