Summary

IMPPAT Phytochemical identifier: IMPHY014365

Phytochemical name: 7beta,18-Dihydroxydehydroabietanol

Synonymous chemical names:
7beta,18-dihydroxydehydroabietanol

External chemical identifiers:
CID:21632835, ChEMBL:CHEMBL598565

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Chemical structure information

SMILES:
OC[C@]1(C)CCC[C@]2([C@H]1C[C@H](O)c1c2ccc(c1)C(C)C)C

InChI:
InChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,17-18,21-22H,5,8-9,11-12H2,1-4H3/t17-,18-,19-,20+/m0/s1

InChIKey:
PORHOKHIMOFMMH-LWYYNNOASA-N

DeepSMILES:
OC[C@]C)CCC[C@][C@H]6C[C@H]O)cc6cccc6)CC)C))))))))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC1CCCCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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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: Abietane diterpenoids

NP-Likeness score: 2.249

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Chemical structure download