Summary

IMPPAT Phytochemical identifier: IMPHY002253

Phytochemical name: (3aR,5Z,9Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one

Synonymous chemical names:
germaacranolide-inunolide, inunolide

External chemical identifiers:
CID:101289712

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Chemical structure information

SMILES:
C/C/1=C/CC/C(=CC[C@H]2[C@@H](C1)OC(=O)C2=C)/C

InChI:
InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,13-14H,3-5,8-9H2,1-2H3/b10-7-,11-6-/t13-,14-/m1/s1

InChIKey:
BBMLTTOFEBDQIR-REJQPIDNSA-N

DeepSMILES:
C/C=C/CC/C=CC[C@H][C@@H]C%10)OC=O)C5=C))))))))/C

Functional groups:
C/C=C(C)C, C=C1CCOC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2CC=CCCC=CCC12

Scaffold Graph/Node level:
CC1C(O)OC2CCCCCCCCC21

Scaffold Graph level:
CC1CC2CCCCCCCCC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.213

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Chemical structure download