Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018084

Phytochemical name: 4(15),5,10(14)-Germacratrien-1-ol

Synonymous chemical names:
4(15),5,10(14)-Germacratrien-1-ol

External chemical identifiers:
CID:CID_13304977, Molport-039-338-364

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Chemical structure information

SMILES:
C=C1/C=C/[C@@H](CCC(=C)[C@H](CC1)O)C(C)C

InChI:
InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,8,11,14-16H,3-4,6-7,9-10H2,1-2H3/b8-5+/t14-,15-/m0/s1

InChIKey:
OSSWBZXPRYZGRO-QKNOVVFDSA-N

DeepSMILES:
C=C/C=C/[C@@H]CCC=C)[C@H]CC%10))O)))))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCCC(=C)CCC1

Scaffold Graph/Node level:
CC1CCCCCC(C)CCC1

Scaffold Graph level:
CC1CCCCCC(C)CCC1

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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: Germacrane sesquiterpenoids

NP-Likeness score: 3.385

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Chemical structure download