Summary

IMPPAT Phytochemical identifier: IMPHY011088

Phytochemical name: Amorpha-4,11-diene

Synonymous chemical names:
amorpha-4,11-diene

External chemical identifiers:
CID:11052747, ChEBI:52026, SureChEMBL:SCHEMBL336854

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Chemical structure information

SMILES:
CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2C(=C)C

InChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3/t12-,13+,14+,15-/m1/s1

InChIKey:
HMTAHNDPLDKYJT-CBBWQLFWSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Cadinane sesquiterpenoids

NP-Likeness score: 2.875

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Chemical structure download