Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007506

Phytochemical name: gamma-Maaliene

Synonymous chemical names:
γ-maaliene, (1aS,3aR,7aS,7bS)-1,1,3a-trimethyl-7-methylidene-1a,2,3,4,5,6,7a,7b-octahydrocyclopropa[a]naphthalene

External chemical identifiers:
CID:CID_21775138, ZINC:ZINC000166392023

---

Chemical structure information

SMILES:
C=C1CCC[C@]2([C@H]1[C@@H]1[C@@H](C1(C)C)CC2)C

InChI:
InChI=1S/C15H24/c1-10-6-5-8-15(4)9-7-11-13(12(10)15)14(11,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1

InChIKey:
YLHIMAHFOWREAD-SFDCQRBFSA-N

DeepSMILES:
C=CCCC[C@][C@H]6[C@@H][C@@H]C3C)C))CC6)))))C

Functional groups:
C=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCC3CC3C12

Scaffold Graph/Node level:
CC1CCCC2CCC3CC3C12

Scaffold Graph level:
CC1CCCC2CCC3CC3C12

---

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: Cycloeudesmane sesquiterpenoids

NP-Likeness score: 2.978

---

Chemical structure download