Summary

IMPPAT Phytochemical identifier: IMPHY007460

Phytochemical name: Khusilal

Synonymous chemical names:
khusilal

External chemical identifiers:
CID:97546569, ZINC:ZINC000096328731

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Chemical structure information

SMILES:
C=C[C@H]1CCC(=C)[C@@H]2[C@@H]1C=C(C=O)CC2

InChI:
InChI=1S/C14H18O/c1-3-12-6-4-10(2)13-7-5-11(9-15)8-14(12)13/h3,8-9,12-14H,1-2,4-7H2/t12-,13+,14+/m0/s1

InChIKey:
CYPSKZONDWFFBC-BFHYXJOUSA-N

DeepSMILES:
C=C[C@H]CCC=C)[C@@H][C@@H]6C=CC=O))CC6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C=CCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Aromadendrane sesquiterpenoids

NP-Likeness score: 2.691

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Chemical structure download