Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001411

Phytochemical name: Amorpha-4,7(11)-diene

Synonymous chemical names:
(1R,4aR,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalene, amorpha-4,7(11)-diene

External chemical identifiers:
CID:CID_91753509

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Chemical structure information

SMILES:
CC1=C[C@H]2[C@@H](CC1)[C@H](C)CCC2=C(C)C

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

InChIKey:
YBEONGKDMARZSS-VHDGCEQUSA-N

DeepSMILES:
CC=C[C@H][C@@H]CC6))[C@H]C)CCC6=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCC=CC12

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: Cadinane sesquiterpenoids

NP-Likeness score: 2.481

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Chemical structure download