Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000710

Phytochemical name: Vulgarol B

Synonymous chemical names:
vulgarol b

External chemical identifiers:
CID:CID_91748781

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Chemical structure information

SMILES:
OC1C=C(C)C2C3[C@H]1C2(C)CCCC3(C)C

InChI:
InChI=1S/C15H24O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,10-13,16H,5-7H2,1-4H3/t10?,11?,12-,13?,15?/m0/s1

InChIKey:
XQPMEWZJPNAPBK-IDTBKSBVSA-N

DeepSMILES:
OCC=CC)CC[C@H]6C4C)CCCC7C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3CCCCC2C3C1

Scaffold Graph/Node level:
C1CCC2C3CCCC2C3C1

Scaffold Graph level:
C1CCC2C3CCCC2C3C1

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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: Longipinane sesquiterpenoids

NP-Likeness score: 3.028

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Chemical structure download