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Molecule Identifiers
Molecular Properties

ID: 100276

SMILES:
C12C(C)(CCC1C(C)C)Oc1cc(CCCCC)cc(O)c1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.583

InChIKey:
BPCSQTQTIGSQEK-UHFFFAOYSA-N

ID: 100277

SMILES:
CC1(C)C=Cc2c(cc(C(CCCCC)O)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.859

InChIKey:
LWOQWMVMNKTSCY-UHFFFAOYSA-N

ID: 100278

SMILES:
C1(C)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 100279

SMILES:
C1=C(CO)CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.797

InChIKey:
KERKCYZDMNZUKU-UHFFFAOYSA-N

ID: 100280

SMILES:
CCCCCc1c(C(C)C=C)c(O)c(O)c2c1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -12.145

InChIKey:
XQLKVPKVIHNIEG-UHFFFAOYSA-N

ID: 100281

SMILES:
O1C2C(C(C(C)(O)C)C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -13.842

InChIKey:
JKENLHMEJJLELR-UHFFFAOYSA-N

ID: 100282

SMILES:
C(C(C)=C)c1c(O)c(CC=C(C)CCC=C(C)C)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.502

InChIKey:
QKVGPQDPMUYRGM-UHFFFAOYSA-N

ID: 100283

SMILES:
CCCCCCC(OCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 388.548

CB1 binding score: -14.613

InChIKey:
IFQFBKABGBJBKW-UHFFFAOYSA-N

ID: 100284

SMILES:
C(OC(C)=O)c1c(O)c(CC=C(C)CC=CC(C)=C)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.578

InChIKey:
OVOUKGYHWOCZFB-UHFFFAOYSA-N

ID: 100285

SMILES:
c1(-c2cc(O)c3c(c2)OC(C)(C)C2C3C3C(C)(O)CCC3C(C)(C)O2)cc(OC)c(O)c(OC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.589

CB1 binding score: -15.098

InChIKey:
CHVLQMJGYGVKPV-UHFFFAOYSA-N

ID: 100286

SMILES:
CC1=CCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.15

InChIKey:
FXRYFSBEEDYORZ-UHFFFAOYSA-N

ID: 100287

SMILES:
OC(C(C)(O)C)CCC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c(Oc3ccccc3)cc(O)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.639

CB1 binding score: -12.923

InChIKey:
YTPRLEXSHBNPRE-UHFFFAOYSA-N

ID: 100288

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 100289

SMILES:
C12C(c3c(O)cc(CCCCC)cc3O)OC(C)(CC1)C2C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.8

InChIKey:
OQHQNKAQESFBHX-UHFFFAOYSA-N

ID: 100290

SMILES:
C1(C(=C)C)CCC2(C)C1C1C(C)(Oc3c1c(O)cc(CCCCC)c3)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -16.101

InChIKey:
RWGPNPHZQHFIGW-UHFFFAOYSA-N

ID: 100291

SMILES:
C1C2c3c(cc(CCCC)cc3OC)OC(C)(C1)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -14.99

InChIKey:
WDAFOYAXQAZOSM-UHFFFAOYSA-N

ID: 100292

SMILES:
Oc1cc(CCCC)c(O)c(CC=C(CCC=C(C)C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -17.388

InChIKey:
JVHXRDRCUSAQKS-UHFFFAOYSA-N

ID: 100293

SMILES:
C(C1C(c2ccccc2O)CC(CCC=C(C)C)=CC1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -15.456

InChIKey:
VWJGYMGISGUFIS-UHFFFAOYSA-N

ID: 100294

SMILES:
c12c(cc(C34C=CC(C)(C)OC3c3c(C)c(C(C)C)c(OC)cc3CC4)cc1O)OC(CCC=C(C)C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 542.76

CB1 binding score: -11.847

InChIKey:
IZCLNYRKABXYDK-UHFFFAOYSA-N

ID: 100295

SMILES:
CC(CCCC(c1c2c(c(O)cc1OC)CC13CC(O2)C(C)(C)OC3C1(C)C)O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.574

CB1 binding score: -16.317

InChIKey:
LQJGTFXDVWCIIF-UHFFFAOYSA-N

ID: 100296

SMILES:
O(C)c1cc(CCCCC)cc2c1C1CC(C)(CCC=C(C)C)OC(C)(C)C1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -15.299

InChIKey:
UGUNOKJVJIZEEC-UHFFFAOYSA-N

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100276–100296 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