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Molecule Identifiers
Molecular Properties

ID: 136291

SMILES:
Cc1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.513

CB1 binding score: -17.825

InChIKey:
SBNHDVINUVKXIY-UHFFFAOYSA-N

ID: 136292

SMILES:
Oc1c(C(C(CC)C)=O)c(O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -16.998

InChIKey:
URRHSZIHKQAPKK-UHFFFAOYSA-N

ID: 136293

SMILES:
C(Cc1cc(O)c2c(c1)OC1(C)C(C2)C(=C(CO)C)CC1)CC(=O)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -13.593

InChIKey:
QFDDSDPHMBPKQJ-UHFFFAOYSA-N

ID: 136294

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.793

CB1 binding score: -16.93

InChIKey:
JDYHRWNDSKNTNV-UHFFFAOYSA-N

ID: 136295

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(O)(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 136296

SMILES:
C(CCc1ccc2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.942

InChIKey:
YEQDMQWLQQVTOT-UHFFFAOYSA-N

ID: 136297

SMILES:
COc1cc(CCCCC)cc2c1C1C(C(C)(O)CCC1C(C)=O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -13.249

InChIKey:
OKVVXTAOJWUFBL-UHFFFAOYSA-N

ID: 136298

SMILES:
CC(=CCc1c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)cc1-2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.557

CB1 binding score: -14.536

InChIKey:
BIGGHGYSPMRHNA-UHFFFAOYSA-N

ID: 136299

SMILES:
CC(C)=CCCc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -17.493

InChIKey:
BFPXFAHDYHTBOO-UHFFFAOYSA-N

ID: 136300

SMILES:
OC(=O)C1=CC2C(CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.63

InChIKey:
XKJHMRMUZXJASC-UHFFFAOYSA-N

ID: 136301

SMILES:
O(CC)C1(CCC2(C)Oc3c(C)cc(O)cc3C=C2)C(C(C)=C)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -13.963

InChIKey:
KKIBPXBLLWEXNH-UHFFFAOYSA-N

ID: 136302

SMILES:
c12c3c(c(C)cc1C(C(C)C)CC2)-c1c(O)cc(CCCCC)cc1OC3(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.583

CB1 binding score: -13.901

InChIKey:
FAHKSRPFCIYPPA-UHFFFAOYSA-N

ID: 136303

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 136304

SMILES:
C1(C)(C)C2(C)CCC1Oc1cc(CCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -15.604

InChIKey:
RGOXZYGMNOCNDQ-UHFFFAOYSA-N

ID: 136305

SMILES:
C(=C(C)C)CCC(=CCc1c(O)cc(CC(=O)OC(CC)(C)C)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -11.953

InChIKey:
JKJQFOCLBRRMNE-UHFFFAOYSA-N

ID: 136306

SMILES:
c12c(c(O)c(OC)cc1CCCCC)OC(C)(C)C1C2C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -13.655

InChIKey:
VHWDMKAGSDJRFX-UHFFFAOYSA-N

ID: 136307

SMILES:
CC1(C)Oc2c(cc(O)cc2C)C2C=C(C(OC)=O)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Meromonoterpenoids

MW: 302.37

CB1 binding score: -18.303

InChIKey:
BDWANFSWNIFAAG-UHFFFAOYSA-N

ID: 136308

SMILES:
c1(O)c(OCC)cc(C=O)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.989

InChIKey:
BLUAFGOSEDFOBV-UHFFFAOYSA-N

ID: 136309

SMILES:
c1(O)cc(O)cc2c1C1C(C(C)(C)O2)CC(C)C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.305

CB1 binding score: -16.009

InChIKey:
PGYBRCYYVVEYLR-UHFFFAOYSA-N

ID: 136310

SMILES:
C(Cc1ccc2c(c1)OC(C)(C)C1C2CC(=C)CC1)=CC(C)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -14.112

InChIKey:
NMPKHZHCQUNGHV-UHFFFAOYSA-N

ID: 136311

SMILES:
C(c1c(O)cc(C)c(O)c1C1C=C(C)CCC1C(=C)C)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -11.814

InChIKey:
DBTSSRGQEIOXQG-UHFFFAOYSA-N

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136291–136311 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