Summary

IMPPAT Phytochemical identifier: IMPHY008341

Phytochemical name: Kaurandiol

Synonymous chemical names:
kaurandiol

External chemical identifiers:
CID:129804979

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Chemical structure information

SMILES:
C[C@@H]1C[C@]23C[C@@H]1CC[C@H]3[C@@]1([C@@H](CC2)C(C)(C)CCC1(O)O)C

InChI:
InChI=1S/C20H34O2/c1-13-11-19-8-7-15-17(2,3)9-10-20(21,22)18(15,4)16(19)6-5-14(13)12-19/h13-16,21-22H,5-12H2,1-4H3/t13-,14+,15+,16+,18+,19+/m1/s1

InChIKey:
IXVKFEJQGPVFHI-HKQXQEGQSA-N

DeepSMILES:
C[C@@H]C[C@@]C[C@@H]5CC[C@H]6[C@@][C@@H]CC%10))CC)C)CCC6O)O))))))C

Functional groups:
CC(C)(O)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Kaurane and Phyllocladane diterpenoids

NP-Likeness score: 2.633

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Chemical structure download