Summary

IMPPAT Phytochemical identifier: IMPHY002167

Phytochemical name: Oblongifoliol

Synonymous chemical names:
ent-isopimara-7, 15-diene-3-β-19-diol(oblongifoliol), oblongifoliol

External chemical identifiers:
CID:101289822

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Chemical structure information

SMILES:
C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@H]([C@@]3(C)CO)O)C1

InChI:
InChI=1S/C20H32O2/c1-5-18(2)10-8-15-14(12-18)6-7-16-19(15,3)11-9-17(22)20(16,4)13-21/h5-6,15-17,21-22H,1,7-13H2,2-4H3/t15-,16+,17-,18+,19+,20+/m1/s1

InChIKey:
NFUDIHFRVVFXHZ-XUFBONQXSA-N

DeepSMILES:
C=C[C@@]C)CC[C@@H]C=CC[C@H][C@@]6C)CC[C@H][C@@]6C)CO)))O))))))))C6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CCCCC2C1

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: Pimarane and Isopimarane diterpenoids

NP-Likeness score: 3.696

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Chemical structure download