Summary

IMPPAT Phytochemical identifier: IMPHY006216

Phytochemical name: Juvocimene II

Synonymous chemical names:
juvocimene ii

External chemical identifiers:
CID:6440533, FDASRS:92Y0DPG41W

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Chemical structure information

SMILES:
C=C/C(=C/C(C1OC1(C)C)C/C=C/c1ccc(cc1)OC)/C

InChI:
InChI=1S/C20H26O2/c1-6-15(2)14-17(19-20(3,4)22-19)9-7-8-16-10-12-18(21-5)13-11-16/h6-8,10-14,17,19H,1,9H2,2-5H3/b8-7+,15-14+

InChIKey:
JVHUDTINIJAQHA-BTOGOYLPSA-N

DeepSMILES:
C=C/C=C/CCOC3C)C))))C/C=C/cccccc6))OC)))))))))))/C

Functional groups:
C=C/C(C)=C/C, CC1OC1(C)C, c/C=C/C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)CCC1CO1

Scaffold Graph/Node level:
C1CCC(CCCCC2CO2)CC1

Scaffold Graph level:
C1CCC(CCCCC2CC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 1.561

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Chemical structure download