Summary

IMPPAT Phytochemical identifier: IMPHY012911

Phytochemical name: Muurola-4,10(14)-dien-1beta-ol

Synonymous chemical names:
muurola-4,10(14)-dien-1β-ol

External chemical identifiers:
CID:6429100

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Chemical structure information

SMILES:
CC1=CC2[C@@](CC1)(O)C(=C)CC[C@@H]2C(C)C

InChI:
InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,13-14,16H,4-8H2,1-3H3/t13-,14?,15+/m1/s1

InChIKey:
URABJKMBRKSXSG-LOWNFYCTSA-N

DeepSMILES:
CC=CC[C@@]CC6))O)C=C)CC[C@@H]6CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C=CCCC12

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: 2.882

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Chemical structure download