Summary

IMPPAT Phytochemical identifier: IMPHY006895

Phytochemical name: Pilosanone B

Synonymous chemical names:
pilosanone b

External chemical identifiers:
CID:24978614, ChEMBL:CHEMBL1713764

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Chemical structure information

SMILES:
OC/C=C(/CC[C@@]1(C)[C@H](C)CC(=O)[C@@H]2[C@@H]1CCC=C(C2)CO)CO

InChI:
InChI=1S/C20H32O4/c1-14-10-19(24)17-11-16(13-23)4-3-5-18(17)20(14,2)8-6-15(12-22)7-9-21/h4,7,14,17-18,21-23H,3,5-6,8-13H2,1-2H3/b15-7-/t14-,17+,18+,20+/m1/s1

InChIKey:
LDOZOWGJNHIECR-LLBXSCRASA-N

DeepSMILES:
OC/C=C/CC[C@@]C)[C@H]C)CC=O)[C@@H][C@@H]6CCC=CC7)CO))))))))))))))CO

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2CCC=CCC12

Scaffold Graph/Node level:
OC1CCCC2CCCCCC12

Scaffold Graph level:
CC1CCCC2CCCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP-Likeness score: 3.157

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Chemical structure download