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Molecule Identifiers
Molecular Properties

ID: 70309

SMILES:
c12c(c(O)ccc1C)C1C(CCC1(O)C)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -16.723

InChIKey:
SAPWOMUUMWICNQ-UHFFFAOYSA-N

ID: 70310

SMILES:
C(CCC=C(C)C)(C)=CCc1cc(O)c(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.331

InChIKey:
LILBTFSPJICHKR-UHFFFAOYSA-N

ID: 70311

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.934

InChIKey:
LVVBWLIVGSVZPM-UHFFFAOYSA-N

ID: 70312

SMILES:
C1C2C(C)(C)C=C(C)CC2c2c(O)cc(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -15.091

InChIKey:
PMGYILLSCQDLKF-UHFFFAOYSA-N

ID: 70313

SMILES:
C1Oc2cc(CCCCC)cc(O)c2C1C1C(C)=CCC2C(C)(C)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -16.583

InChIKey:
ACTLAPDHIKWHST-UHFFFAOYSA-N

ID: 70314

SMILES:
Oc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.957

InChIKey:
ZSBGNUPOFUYDMQ-UHFFFAOYSA-N

ID: 70315

SMILES:
C1C2C(c3c(cc(CCCCC)cc3O)O1)C(O)C(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.924

InChIKey:
LDHXAEZFGSKMHT-UHFFFAOYSA-N

ID: 70316

SMILES:
O(c1cc2c(cc1O)CC1C(C)C(C)(CCC)C(O)CC1(C)O2)CCCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.591

CB1 binding score: -15.311

InChIKey:
FQYHWSKTCJPKAN-UHFFFAOYSA-N

ID: 70317

SMILES:
c12c(O)cc(CCCC)cc1OC(C)(C)C1C2C(O)C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -17.628

InChIKey:
FZPZZJPSHOYKIF-UHFFFAOYSA-N

ID: 70318

SMILES:
CC(C1C2c3c(O)cc(CCCCC)cc3OC(C)(CC1)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.385

InChIKey:
OEDPJGVWHANUAE-UHFFFAOYSA-N

ID: 70319

SMILES:
C(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C(=O)C1)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.376

InChIKey:
AAZSXXIEAYXFSH-UHFFFAOYSA-N

ID: 70320

SMILES:
C(C)CCc1cc2c(c(O)c1)C1CC(C)CC(=C)C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.508

CB1 binding score: -12.184

InChIKey:
BVZARKOFMJUNBV-UHFFFAOYSA-N

ID: 70321

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.334

InChIKey:
LMTQDQLMOBKYNY-UHFFFAOYSA-N

ID: 70322

SMILES:
C1(=O)CCC(O)C2(C)C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.502

InChIKey:
LEPXGGCSSXXLEC-UHFFFAOYSA-N

ID: 70323

SMILES:
CC1(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 70324

SMILES:
C(C=C(C)C)CC(C)=CCc1c(O)cc(CCCCCO)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.775

InChIKey:
BPLYFGRGSWNQPD-UHFFFAOYSA-N

ID: 70325

SMILES:
C12(CC=C(CO)C(OC)C1)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -14.448

InChIKey:
ACYMSSFGFPKIDA-UHFFFAOYSA-N

ID: 70326

SMILES:
CC(=CCCC1(C)C2(O)CCC(C)=CC2c2c(O)cc(C)cc2O1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.876

InChIKey:
SHTFSWYZOGCQII-UHFFFAOYSA-N

ID: 70327

SMILES:
CC(=O)CCC(C)=CCCC1(C)C=Cc2cc(O)c(C)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.875

InChIKey:
LSMYZWVLQZAKNP-UHFFFAOYSA-N

ID: 70328

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C(=O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.597

InChIKey:
LQROZGZXFUAWIS-UHFFFAOYSA-N

ID: 70329

SMILES:
c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -20.649

InChIKey:
ZHYPKENABBMAAN-UHFFFAOYSA-N

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70309–70329 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