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Molecule Identifiers
Molecular Properties

ID: 137362

SMILES:
C(C1CC2(C(CCc3ccccc3)=O)C=CC(CCC=C(C)C)=CC2C(O)=C1)(=O)OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.549

CB1 binding score: -15.662

InChIKey:
GPKFNIUJMFFGOV-UHFFFAOYSA-N

ID: 137363

SMILES:
CC1(C)C2C=CC(OO)(C)CC2c2c(C)cc(O)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -14.934

InChIKey:
PRDZHXFVGXYRRJ-UHFFFAOYSA-N

ID: 137364

SMILES:
C1(C)(CCC=C(C)C)C=Cc2cc(COc3c(O)ccc(CCCCCO)c3)c(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.727

CB1 binding score: -15.047

InChIKey:
NWTUNRWJFGVXEX-UHFFFAOYSA-N

ID: 137365

SMILES:
C12C(O)C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.898

InChIKey:
SUVXTOCRTNYFMQ-UHFFFAOYSA-N

ID: 137366

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 137367

SMILES:
C1C(C)CC(c2c(O)cc(CCC)cc2O)C(C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -19.319

InChIKey:
VNFNICPIQJPBJY-UHFFFAOYSA-N

ID: 137368

SMILES:
CC1(C)Oc2c(c(O)cc(C(C(CCC(=O)C)O)C)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -10.914

InChIKey:
URFQXZBMOMHKTK-UHFFFAOYSA-N

ID: 137369

SMILES:
c1(C)c2c(c(OC)c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.692

InChIKey:
IOVCRAILTARRTC-UHFFFAOYSA-N

ID: 137370

SMILES:
C1CC(C)=C(c2c(O)cc(CCCCC)cc2O)C(C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.502

InChIKey:
JZWFWLANKSKHEC-UHFFFAOYSA-N

ID: 137371

SMILES:
c1(C2C=C(C)CCC2C(=C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137372

SMILES:
C(=C(CCC=C(C)C)C)CC1C(OC(=O)C)C=C(C2C=C(C)CCC2C(=C)C)C(=O)c2c1cccc2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.696

CB1 binding score: -15.047

InChIKey:
WNTFENWGEXESKJ-UHFFFAOYSA-N

ID: 137373

SMILES:
c12cc(CCCC)ccc1C(=O)CC(CCC=C(C)C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -11.918

InChIKey:
OJEXGMFVVCQAJF-UHFFFAOYSA-N

ID: 137374

SMILES:
C1(C)(C)C2C(CC(C)=CC2)c2c(O)cc(C)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.619

InChIKey:
MMZAEMNNHWYQKW-UHFFFAOYSA-N

ID: 137375

SMILES:
CC1(CCCC(C)C)C2CCC(C)=CC2c2c(cc(O)cc2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.176

InChIKey:
RNMBHQPXHRWRLH-UHFFFAOYSA-N

ID: 137376

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C(O)CC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.072

InChIKey:
DJCKLUPKZRLTPE-UHFFFAOYSA-N

ID: 137377

SMILES:
Cc1cc2c(cc1)C(C)(C)Oc1cc(CCCCC)cc(O)c1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 137378

SMILES:
C(CCCCCCCCCC)CCCCc1cc2c(c(O)c1)C1CC(C)=CCCC(C)=CCC1(C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.858

CB1 binding score: -15.103

InChIKey:
YSHRXNBLTWFLOG-UHFFFAOYSA-N

ID: 137379

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137380

SMILES:
c1(OC)c(O)c2c(cc1C)OC(C)(C)C1=CCC(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -14.179

InChIKey:
OELZCMUMQSDKLO-UHFFFAOYSA-N

ID: 137381

SMILES:
C(O)(CC(OC(C)C)=O)c1cc(O)c(CC=C(CCC=C(C)C)C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -16.466

InChIKey:
AZHVMTNKOXRXBD-UHFFFAOYSA-N

ID: 137382

SMILES:
C1(C)C(O)OC2C1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -13.136

InChIKey:
PMLCLURFIDJUQV-UHFFFAOYSA-N

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137362–137382 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