Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018051

Phytochemical name: 2-[4-Methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde

Synonymous chemical names:
2-[4-Methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde

External chemical identifiers:
CID:CID_5363101

---

Chemical structure information

SMILES:
O=CC1=C(CCCC1)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C

InChI:
InChI=1S/C23H32O/c1-18(9-7-13-20-11-5-6-12-21(20)17-24)14-15-22-19(2)10-8-16-23(22,3)4/h7,9,13-15,17H,5-6,8,10-12,16H2,1-4H3/b13-7+,15-14+,18-9+

InChIKey:
LGIKFBYSSJHCQR-ALLKAYEBSA-N

DeepSMILES:
O=CC=CCCCC6))))/C=C/C=C/C=C/C=CC)CCCC6C)C)))))))))\C

Functional groups:
CC(=C(/C=C/C(C)=C/C=C/C(=C(C=O)C)C)C)C

---

Molecular scaffolds

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

Scaffold Graph/Node level:
C(CCCC1CCCCC1)CCC1CCCCC1

Scaffold Graph level:
C(CCCC1CCCCC1)CCC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Retinoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Cyclophytane diterpenoids

NP-Likeness score: 1.775

---

Chemical structure download