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Molecule Identifiers
Molecular Properties

ID: 70267

SMILES:
c1(CCCCC)cccc2c1OC1(C)CC3C(C)(C)C3C1C=C(C(=O)O)CC2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -18.58

InChIKey:
IAMHQGZBMUBJEC-UHFFFAOYSA-N

ID: 70268

SMILES:
CC1C23C(C1)C(CC=CC(C)(C)O)(C)C(C=C2)c1c(O)cc(C)cc1C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -10.883

InChIKey:
YUFNISINCXKGAD-UHFFFAOYSA-N

ID: 70269

SMILES:
C1(OC(=O)CC(C)C)CC(C)CCC12C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -16.295

InChIKey:
JWHBTFVNDSNZMB-UHFFFAOYSA-N

ID: 70270

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(O)CC2)CC(C(=C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.484

InChIKey:
GNEUWLBKUCOAPZ-UHFFFAOYSA-N

ID: 70271

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1OC(c3ccc(O)c(O)c3)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.472

CB1 binding score: -15.124

InChIKey:
NKEUXXPFEVUUCR-UHFFFAOYSA-N

ID: 70272

SMILES:
C12C=C(C(=O)OC)C(=O)CC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -15.98

InChIKey:
ZMYZCBAQYNEBFN-UHFFFAOYSA-N

ID: 70273

SMILES:
C(C1C(C)(C)Oc2ccc(O)cc21)CC(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 236.311

CB1 binding score: -16.793

InChIKey:
RGJLGZDSYHYCQI-UHFFFAOYSA-N

ID: 70274

SMILES:
Cc1cc(O)cc2c1OC(CC1(C)CCC(C(C)(C)OC(=O)C)O1)C(=O)C=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.487

CB1 binding score: -16.34

InChIKey:
HKCJBPRJAJKTQN-UHFFFAOYSA-N

ID: 70275

SMILES:
CCc1cc(O)cc(CC=C(CCC=C(C)C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.405

CB1 binding score: -17.029

InChIKey:
ROYPWYNWSNTAGT-UHFFFAOYSA-N

ID: 70276

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)OC(C)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.794

InChIKey:
VUAZUGUCIJNOSE-UHFFFAOYSA-N

ID: 70277

SMILES:
C(CCc1cc2c(c(O)c1)C1C(=O)C(C)(C)OC(C)(C)C1CCC2=C)(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -10.513

InChIKey:
IOFWLZQCUMXCEV-UHFFFAOYSA-N

ID: 70278

SMILES:
c1c(C(=O)OC)c(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C(OC)=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -17.931

InChIKey:
MTDYRADOKOWPIT-UHFFFAOYSA-N

ID: 70279

SMILES:
C(C)(=CCc1c(O)cc(CC(=O)C(=C)C)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -14.104

InChIKey:
VSCXTCJBKXASIQ-UHFFFAOYSA-N

ID: 70280

SMILES:
Oc1c(CC=C)cc(O)c2c1OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.457

InChIKey:
NZADCODQWZMDJW-UHFFFAOYSA-N

ID: 70281

SMILES:
C12CC(C)(Oc3c1c(O)cc(CCCCC)c3)C(=O)C(=C(O)c1ccccc1)C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.549

CB1 binding score: -15.346

InChIKey:
UISFDQQNBFUEBG-UHFFFAOYSA-N

ID: 70282

SMILES:
c1(O)c(CC=C(C)C)c(O)c(C=O)c(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -18.049

InChIKey:
UTQODHOHWHAWHC-UHFFFAOYSA-N

ID: 70283

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)(O)C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.099

InChIKey:
BIZXFITWYKRZJN-UHFFFAOYSA-N

ID: 70284

SMILES:
Cn1c(C=CC(CC(C)C=C(C)C)C)c(C)c(=O)c2c(O)c3c(cc12)OC(C)(C)C1CCC(C)=CC31

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 489.7

CB1 binding score: -16.514

InChIKey:
WOZGEKNNLJQCNC-UHFFFAOYSA-N

ID: 70285

SMILES:
Oc1c(O)cc(CC=C(C)CCC=C(C)C)c(C2C=C(C)CCC2C(C)=C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -15.29

InChIKey:
SEMZRWYFQMBHQA-UHFFFAOYSA-N

ID: 70286

SMILES:
C1Cc2c(c(O)cc(CCCCC)c2)C2=C(C(C)(C)O1)CCC(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.502

InChIKey:
CWZSGJZPUISWFN-UHFFFAOYSA-N

ID: 70287

SMILES:
COC1C(Oc2cc(CCCCC)cc(O)c2C2C(C)(CCC3C(C(C)(C)O)CCC3(O)C)O2)OC(CO)C(O)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 596.758

CB1 binding score: -15.058

InChIKey:
ZWVXXCSIGLNHGF-UHFFFAOYSA-N

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70267–70287 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