Summary

IMPPAT Phytochemical identifier: IMPHY017825

Phytochemical name: Salvia-4(14),5-dien-1beta-ol

Synonymous chemical names:
salvia-4(14),5-dien-1beta-ol

External chemical identifiers:
CID:91747179

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Chemical structure information

SMILES:
C=C1CC[C@H](C2C(=C1)[C@@H](CC2)C(C)C)O

InChI:
InChI=1S/C14H22O/c1-9(2)11-5-6-12-13(11)8-10(3)4-7-14(12)15/h8-9,11-12,14-15H,3-7H2,1-2H3/t11-,12?,14+/m0/s1

InChIKey:
MKZJFJDDLDDOPO-HFUMIRBISA-N

DeepSMILES:
C=CCC[C@H]CC=C7)[C@@H]CC5))CC)C)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=C2CCCC2CCC1

Scaffold Graph/Node level:
CC1CCCC2CCCC2C1

Scaffold Graph level:
CC1CCCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids, Germacrane sesquiterpenoids

NP-Likeness score: 2.818

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Chemical structure download