Summary

IMPPAT Phytochemical identifier: IMPHY017600

Phytochemical name: Eudesm-4(15),7-dien-3-beta-ol

Synonymous chemical names:
eudesma-4(15),7-dien-3 β-ol

External chemical identifiers:
CID:6428381

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Chemical structure information

SMILES:
C=C1[C@@H](O)CC[C@@]2(C1CC(=CC2)C(C)C)C

InChI:
InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h5,10,13-14,16H,3,6-9H2,1-2,4H3/t13?,14-,15+/m0/s1

InChIKey:
OCKQAERZZNSEED-NOYMGPGASA-N

DeepSMILES:
C=C[C@@H]O)CC[C@@]C6CC=CC6))CC)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CC=CCC12

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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.51

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Chemical structure download