Summary

IMPPAT Phytochemical identifier: IMPHY017863

Phytochemical name: Ylanga-2,4-(15)-diene

Synonymous chemical names:
ylanga-2,4(15)-diene

External chemical identifiers:
CID:91749830

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Chemical structure information

SMILES:
CC(C1CC[C@@]2(C3C1C2C(=C)C=C3)C)C

InChI:
InChI=1S/C15H22/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5-6,9,11-14H,3,7-8H2,1-2,4H3/t11?,12?,13?,14?,15-/m1/s1

InChIKey:
ADVJSMBYHNLAGK-ZPWMNFGTSA-N

DeepSMILES:
CCCCC[C@@]CC6C4C=C)C=C6))))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC2C3CCCC2C13

Scaffold Graph/Node level:
CC1CCC2C3CCCC2C13

Scaffold Graph level:
CC1CCC2C3CCCC2C13

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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: Copaane sesquiterpenoids

NP-Likeness score: 3.336

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Chemical structure download