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Molecule Identifiers
Molecular Properties

ID: 126505

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -13.885

InChIKey:
BHSDIGYQRBEEKT-UHFFFAOYSA-N

ID: 126506

SMILES:
CC1=CCC(C(C)=C)C(c2ccc(CCCC)cc2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 268.444

CB1 binding score: -15.773

InChIKey:
IFJQXMDFERYURZ-UHFFFAOYSA-N

ID: 126507

SMILES:
C(CCC)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 126508

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 126509

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 126510

SMILES:
OC1C(C)=CCCC(C)=CCc2c(c(O)cc(CCCCC)c2)C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -12.939

InChIKey:
RDDPJPAZFXRDAH-UHFFFAOYSA-N

ID: 126511

SMILES:
CC1(C)C2C1C1C(C)(CC2)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.347

InChIKey:
BESBHHIUFZITCL-UHFFFAOYSA-N

ID: 126512

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -16.655

InChIKey:
LULRPZYGKXLBAS-UHFFFAOYSA-N

ID: 126513

SMILES:
C(C)CCCc1cc2c(c(OC)c1)C1C(C(O)(C)CCC1C(C)=C)C(=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -12.856

InChIKey:
HQHMLCFQXSAJFD-UHFFFAOYSA-N

ID: 126514

SMILES:
C1CC(C)CC(c2c(O)cc(CCC)cc2O)C1C(C)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -18.587

InChIKey:
KPBJTVIGTRQSAX-UHFFFAOYSA-N

ID: 126515

SMILES:
C1(C)(C2C(CC(=CCc3c(O)c(C)cc(OC)c3)C)=CC(=O)C=C2)OC(C)(C)C(CO)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -11.8

InChIKey:
VKQPBWINKZHMPC-UHFFFAOYSA-N

ID: 126516

SMILES:
C(Cc1cc(O)cc(O)c1)CC(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -16.02

InChIKey:
BEXZJJRFLKNCOJ-UHFFFAOYSA-N

ID: 126517

SMILES:
C1CC(=C)C2C(C3C(C)(C)Oc4c(c(O)cc(C)c4)C23O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -13.437

InChIKey:
NGFGJSYQPPXINB-UHFFFAOYSA-N

ID: 126518

SMILES:
c12c(O)cc(CCCCC)cc1OC(C(C)(C)O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -17.942

InChIKey:
PRKDRANYBPHDBW-UHFFFAOYSA-N

ID: 126519

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -19.67

InChIKey:
QXOBJECFIJLBPW-UHFFFAOYSA-N

ID: 126520

SMILES:
Cc1cc(OC)c(CC=C(CCC=C(C)C)COC(C)=O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.878

InChIKey:
DKQBPVKYMKCVAM-UHFFFAOYSA-N

ID: 126521

SMILES:
c1(OC)ccc(C=CC(OCC2=CC(c3c(C)cc(O)cc3O)CC(C)=CCC2)(C)C)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.629

CB1 binding score: -12.499

InChIKey:
UXVKIPKGRRTHCX-UHFFFAOYSA-N

ID: 126522

SMILES:
C1(=O)C=C(C)CCC2C(C)(C)Oc3c(cc(O)cc3C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.609

InChIKey:
NZAIHFKRDOFFTF-UHFFFAOYSA-N

ID: 126523

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 126524

SMILES:
C(c1cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 126525

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

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126505–126525 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