Summary

IMPPAT Phytochemical identifier: IMPHY002692

Phytochemical name: Pterocarptriol

Synonymous chemical names:
pterocarptriol

External chemical identifiers:
CID:14805261, ZINC:ZINC000015207839

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Chemical structure information

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

InChI:
InChI=1S/C15H28O3/c1-13(2,17)10-5-6-14(3)8-11(16)9-15(4,18)12(14)7-10/h10-12,16-18H,5-9H2,1-4H3/t10-,11-,12-,14+,15-/m1/s1

InChIKey:
QRVJFHKYVKNIIK-MYYUVRNCSA-N

DeepSMILES:
O[C@H]C[C@@]C)O)[C@H][C@@]C6)C)CC[C@H]C6)CO)C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: 2.832

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Chemical structure download