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Molecule Identifiers
Molecular Properties

ID: 106807

SMILES:
C1C(C)(C)C2C(CC(CO)=CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.324

InChIKey:
YAGCBEGEDQGXPJ-UHFFFAOYSA-N

ID: 106808

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)C(O)C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -18.889

InChIKey:
UPEBTOVGNPOJQR-UHFFFAOYSA-N

ID: 106809

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(CCC=C(CCC=C(OC)C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.689

InChIKey:
VDBXQHXFGRRMLX-UHFFFAOYSA-N

ID: 106810

SMILES:
CC1=CC(c2c(O)c(C(=O)O)c(CCCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -18.365

InChIKey:
WVOLTBSCXRRQFR-UHFFFAOYSA-N

ID: 106811

SMILES:
C1(=O)C(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.89

InChIKey:
ZFMLWVQALKDKCX-UHFFFAOYSA-N

ID: 106812

SMILES:
C(=O)(O)CCc1c(CC=C(CCC=C(C)C)C)cc(O)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.635

CB1 binding score: -16.124

InChIKey:
POZCHKXOILYVRB-UHFFFAOYSA-N

ID: 106813

SMILES:
c1(CC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.957

InChIKey:
JJBMVXFZSLTKCL-UHFFFAOYSA-N

ID: 106814

SMILES:
CS(c1c2c(ccc1CCCCC)OC(C)(C)c1ccc(C)cc1-2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.531

CB1 binding score: -15.635

InChIKey:
ILIVNTOKYMTJER-UHFFFAOYSA-N

ID: 106815

SMILES:
C12(C)C(CCC3Oc4c(c(cc(C)c4)OC)C3O)C(C)(O1)CCC2C(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -14.341

InChIKey:
DHKKYFDSIKKWAB-UHFFFAOYSA-N

ID: 106816

SMILES:
c1(O)cc2c(cc1O)C(CC(CCC=C(C)C(O)=O)C)=CC(CCC=C(C)C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -13.22

InChIKey:
UWZDCLQTQOYQKS-UHFFFAOYSA-N

ID: 106817

SMILES:
CC(O)(CCCC(C)(C)OC)C1C(c2c(O)ccc(O)c2)C=C(CCC=C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -16.668

InChIKey:
DFTFNMSTSXLBLD-UHFFFAOYSA-N

ID: 106818

SMILES:
C1C2C(=CCC(C)=C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.794

InChIKey:
MQTICKJWFLRNEL-UHFFFAOYSA-N

ID: 106819

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(ccc(O)c2O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.493

InChIKey:
ITYHJPGRQYSNFQ-UHFFFAOYSA-N

ID: 106820

SMILES:
C(CC=C(C)C)C(C)=CCc1c(O)cc(CCC)c(C(OC)=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -18.118

InChIKey:
NEUABICYMUWBFX-UHFFFAOYSA-N

ID: 106821

SMILES:
C1(O)C(C)(C)Oc2c(cc(CCCCC)cc2O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -16.706

InChIKey:
MRMDEXJHAJSPKK-UHFFFAOYSA-N

ID: 106822

SMILES:
C1C(O)C2C(C)(C)Oc3cc(CCC(CC)C)cc(O)c3C2C2C1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.588

InChIKey:
CJHSLPQFRGGHIF-UHFFFAOYSA-N

ID: 106823

SMILES:
CC1(C)Oc2c(c(O)c(CCCCC)cc2OC2OC(C(=O)O)C(O)C(O)C2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.462

CB1 binding score: -12.921

InChIKey:
XHFGKPHFUNGTEZ-UHFFFAOYSA-N

ID: 106824

SMILES:
C(c1c2c(c(C)cc1O)C(O)C(C)(C)OC2=O)(C)C1CC=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.267

InChIKey:
JGPLAJPFWFGZQE-UHFFFAOYSA-N

ID: 106825

SMILES:
C(C1(O)CCC(C(=C)C)C1c1c(O)cc(CCC)cc1O)OC(C(C)=CC)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.51

InChIKey:
RPCSQVGPLGCIBM-UHFFFAOYSA-N

ID: 106826

SMILES:
O(C(CC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)CC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.547

CB1 binding score: -14.906

InChIKey:
GNYGJTVUYZNPQM-UHFFFAOYSA-N

ID: 106827

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)C=CC=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -15.569

InChIKey:
JVULDTJRQYUTJP-UHFFFAOYSA-N

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106807–106827 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties