Summary

IMPPAT Phytochemical identifier: IMPHY017005

Phytochemical name: Aromadendra-1(10),4(15)-diene

Synonymous chemical names:
aromadendra-1(10),4 (15)-diene, aromadendra-1(10),4(15)-diene

External chemical identifiers:
CID:12152396, ZINC:ZINC000085739004

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Chemical structure information

SMILES:
C=C1CCC2=C(C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C

InChI:
InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h12-14H,2,5-8H2,1,3-4H3/t12-,13-,14-/m0/s1

InChIKey:
OBPKUBNSEKJPHY-IHRRRGAJSA-N

DeepSMILES:
C=CCCC=CC)CC[C@H][C@@H][C@@H]%107)C3C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2=CCCC3CC3C12

Scaffold Graph/Node level:
CC1CCC2CCCC3CC3C12

Scaffold Graph level:
CC1CCC2CCCC3CC3C12

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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: Aromadendrane sesquiterpenoids

NP-Likeness score: 3.063

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Chemical structure download