Summary

IMPPAT Phytochemical identifier: IMPHY002360

Phytochemical name: Jatamol A

Synonymous chemical names:
jatamol a

External chemical identifiers:
CID:101618010, ZINC:ZINC000015207063

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Chemical structure information

SMILES:
O[C@H]1CC(=C)[C@H]2[C@@](C1)(C)CC[C@H](C2)C(=C)C

InChI:
InChI=1S/C15H24O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h12-14,16H,1,3,5-9H2,2,4H3/t12-,13+,14+,15+/m1/s1

InChIKey:
OFAYIAUICPXDBC-QPSCCSFWSA-N

DeepSMILES:
O[C@H]CC=C)[C@H][C@@]C6)C)CC[C@H]C6)C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 3.241

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Chemical structure download