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Molecule Identifiers
Molecular Properties

ID: 67474

SMILES:
C1(C(C)C)C(c2c(O)cc(CCCCC)cc2OC)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.42

CB1 binding score: -16.044

InChIKey:
WNPJQPBUQKOFOW-UHFFFAOYSA-N

ID: 67475

SMILES:
C(C)CCc1cc2c(c(O)c1)C1(CC(=O)C(C)C)OC(C)(C)C3C1(CC(C(O)(C)C)OO3)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.594

CB1 binding score: -14.85

InChIKey:
JBCVXTZGAHGCFP-UHFFFAOYSA-N

ID: 67476

SMILES:
C1CCC2(C(COC(CC(C)C)=O)c3c(O)cc(CCCCC)cc3O2)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -12.028

InChIKey:
WXBOYYQOAFZYOQ-UHFFFAOYSA-N

ID: 67477

SMILES:
C1C(C(=C)C)=CC23C1(CC(O)C(C)(C)O2)C(=O)C(C(=O)c1cc(O)c(O)cc1)=C3O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.438

CB1 binding score: -15.047

InChIKey:
FMZLARQDSDIAKR-UHFFFAOYSA-N

ID: 67478

SMILES:
C1CC(CCCC(C)C)(C)Oc2c1c(O)c(C(=O)O)c(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Prenyl quinone meroterpenoids

MW: 362.51

CB1 binding score: -16.516

InChIKey:
SMGODRWIGRGGLE-UHFFFAOYSA-N

ID: 67479

SMILES:
C(C)(C)C1(O)C2Oc3c(c(OC)cc(CCCCCC)c3)C3OC(C)(CCC=C(C)C2)C3C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -12.246

InChIKey:
ZWISPPYGBLZUKR-UHFFFAOYSA-N

ID: 67480

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC)c2C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.823

InChIKey:
GRLARWXSTOXAGR-UHFFFAOYSA-N

ID: 67481

SMILES:
C1CC2OC2(C)C(O)c2c(O)cc(CCCCC)c(C(O)=O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.385

CB1 binding score: -15.341

InChIKey:
ZEKWMGFNVOGEHZ-UHFFFAOYSA-N

ID: 67482

SMILES:
C1CC2(C(C)(C)Oc3c2c(O)cc(CCC)c3)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.914

InChIKey:
OEEMJQZDILPNIY-UHFFFAOYSA-N

ID: 67483

SMILES:
C12c3c(cc(CCCCC)cc3O)OC(C)(CCC1)C=CC(C(C)=C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.332

InChIKey:
MNOUPMJXOQOVJJ-UHFFFAOYSA-N

ID: 67484

SMILES:
C1(C)(CC)C(=O)OC(C(=CCCC(C)=CCc2cc(O)cc(C)c2OC)C)C(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -14.686

InChIKey:
SKVQHGUMKYYBJQ-UHFFFAOYSA-N

ID: 67485

SMILES:
C1(C)(C)C(C)=CC(c2c(O)ccc(O)c2)C(C(=CCC=C(C)C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -17.131

InChIKey:
SYERQPQBPIJGBA-UHFFFAOYSA-N

ID: 67486

SMILES:
COc1c(O)c2c(cc1C)C1C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CC(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -15.147

InChIKey:
VMQHYCNMOOAWMY-UHFFFAOYSA-N

ID: 67487

SMILES:
C(C)(C)CCC(CC)(C)C(C(=O)c1c2c(c(O)c(CC=C(C)C)c1O)OC(C)(C)C1CC=C(C)CC12)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.715

CB1 binding score: -15.174

InChIKey:
NLCDNOVYFGPHJF-UHFFFAOYSA-N

ID: 67488

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(CC=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.763

InChIKey:
PGXPYNONUCAMJV-UHFFFAOYSA-N

ID: 67489

SMILES:
C1C2=C(C)CC1c1c(O)c(C(OC)=O)c(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -13.143

InChIKey:
FTQVSNIOHZKLTB-UHFFFAOYSA-N

ID: 67490

SMILES:
C1(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.597

InChIKey:
LQROZGZXFUAWIS-UHFFFAOYSA-N

ID: 67491

SMILES:
C1CC(C)C2Cc3c(c(CO)cc(O)c31)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -12.694

InChIKey:
UWBSECHQQQNPGL-UHFFFAOYSA-N

ID: 67492

SMILES:
O(CC1=CCCC23C1CC(C(=C)C)CCC2(C)Oc1c3c(O)cc(CCCC)c1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -14.272

InChIKey:
LTNCNVPKOZNZDM-UHFFFAOYSA-N

ID: 67493

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC3C(C)(O1)OCC3C(=O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -14.041

InChIKey:
KJGODRALPNUMCH-UHFFFAOYSA-N

ID: 67494

SMILES:
C1C=C(C)CC2C1C(C)(C)Oc1cc(C)c(OC)cc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.84

InChIKey:
ZXRSHEJEBYIBKK-UHFFFAOYSA-N

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67474–67494 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