Summary
IMPPAT Phytochemical identifier: IMPHY014870
Phytochemical name: cis-Muurola-4(14),5-diene
Synonymous chemical names:(z)-muurola-4(14),5-diene, cis-muurola- 4( 14),5-diene, cis-muurola-4 (14),5-diene, cis-muurola-4(14),5-diene, cis-muurola-4(14)-5-diene, cis-muurola-4(15) 5-diene, cis-muurola-4)14),5-diene, cis-muurola-4-(14), 5diene, cis-muurolα-4(14),5-diene, cis-muurolα-4(14)-5-diene, cis-muurolα-4(14)5-diene, cis-muurolα-4(15),5-diene
External chemical identifiers:CID:51351709, ChEBI:61688, ZINC:ZINC000064634152
Chemical structure information
SMILES:
C=C1CC[C@@H]2C(=C1)[C@H](CC[C@H]2C)C(C)CInChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13-,14+/m1/s1InChIKey:
RNDFUOKDULDZPR-MCIONIFRSA-NDeepSMILES:
C=CCC[C@@H]C=C6)[C@H]CC[C@H]6C))))CC)CFunctional groups:
C=C(C)C=C(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1C=C2CCCCC2CC1Scaffold Graph/Node level:
CC1CCC2CCCCC2C1Scaffold Graph level:
CC1CCC2CCCCC2C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Sesquiterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Cadinane sesquiterpenoids
NP-Likeness score: 2.835
Chemical structure download