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Molecule Identifiers
Molecular Properties

ID: 78478

SMILES:
c1(OC)cc2c(c(CC(C(C)(C)O)CCC(C)=O)c1OC)OC(C)(C)C1CCC(C)(O)C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.6

CB1 binding score: -16.411

InChIKey:
PZAMTADQBUTINO-UHFFFAOYSA-N

ID: 78479

SMILES:
C1(OC(C)=O)C(C)=CCCC(C)=CC2C(C(C)(C)Oc3cc(C)ccc32)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -16.366

InChIKey:
NXGGTMGSSPSVSM-UHFFFAOYSA-N

ID: 78480

SMILES:
C1(c2c(C)cccc2O)C(C(CO)=C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.485

InChIKey:
DNAJMSNHEQAVTA-UHFFFAOYSA-N

ID: 78481

SMILES:
c1c(O)c2c(c(C(=O)C(C)C)c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.52

InChIKey:
VHEWDYVGALGHGC-UHFFFAOYSA-N

ID: 78482

SMILES:
CC(C)C1CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C2C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.015

InChIKey:
PNGZLIGTJPGAIU-UHFFFAOYSA-N

ID: 78483

SMILES:
C(C)CCCCc1cc2c(c(O)c1)C1C=C3C(CO)(CC1OC(C)(C)C3O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -16.195

InChIKey:
SFZWVAVCLJYREY-UHFFFAOYSA-N

ID: 78484

SMILES:
C12(C)CCCC(C)(C)C1=Cc1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.786

InChIKey:
QPCFTNDVWGACOB-UHFFFAOYSA-N

ID: 78485

SMILES:
C1C2C(C(C)(C)Oc3cc(C)cc(O)c31)CCC2(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -17.351

InChIKey:
DAUOTHIBRUWCJV-UHFFFAOYSA-N

ID: 78486

SMILES:
O=C(c1cc(CC=C(CCC=C(C)C)C)c(O)c(Cl)c1CCCCC)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.94

CB1 binding score: -12.878

InChIKey:
ABWHAYYTXFTXFT-UHFFFAOYSA-N

ID: 78487

SMILES:
C(CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C=CC=C(C)C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.626

CB1 binding score: -14.862

InChIKey:
CZHRAHJNJSADQW-UHFFFAOYSA-N

ID: 78488

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.108

InChIKey:
GDPNGBMKPFUWHN-UHFFFAOYSA-N

ID: 78489

SMILES:
CC1(C)OC2=C(C=C1)C1(C)C(C)(CC2)Oc2c(c(O)c(C(=O)OC)c(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -15.879

InChIKey:
FVJJDKRLBHVDSW-UHFFFAOYSA-N

ID: 78490

SMILES:
C(CC=Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.519

CB1 binding score: -16.651

InChIKey:
UQPRPQWWBQUEEA-UHFFFAOYSA-N

ID: 78491

SMILES:
c1c(O)c(Cl)c2c(c1)OC(C)(C)C1C(O)CC(C)C(O)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.793

CB1 binding score: -15.897

InChIKey:
JMJXLJTWTMHRMA-UHFFFAOYSA-N

ID: 78492

SMILES:
C1C2(C)CC(c3c(O)cc(CCCCC)cc3O)C(C(C)(OC)CCC=C(C)C)C1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -14.029

InChIKey:
XJUYNMNTLWFKRG-UHFFFAOYSA-N

ID: 78493

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.483

InChIKey:
NOBVLNKOMCEFJL-UHFFFAOYSA-N

ID: 78494

SMILES:
C(Cc1c2c(c(O)cc1C)CC(C)(C)OCC=C(C)CCC=C(C)C2)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.547

InChIKey:
XTMFCTGHNCCQGG-UHFFFAOYSA-N

ID: 78495

SMILES:
C1CC(CCC=C(C)C)(C)Oc2c1c(O)cc(CCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.196

InChIKey:
DFJQDSHPYZAGQZ-UHFFFAOYSA-N

ID: 78496

SMILES:
Oc1cc(C)cc2c1C(C)(C)Oc1cc(CCCCC)ccc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -16.63

InChIKey:
AJFUWJNQUVUVMF-UHFFFAOYSA-N

ID: 78497

SMILES:
O=C(c1cc(-c2c(CCCCC)cc3c(c2O)OC(C)(C)C2C3C=C(C)CC2)c(O)c(C)n1)N

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.606

CB1 binding score: -13.948

InChIKey:
PWSMFSMDSJTMGD-UHFFFAOYSA-N

ID: 78498

SMILES:
Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -18.957

InChIKey:
RKPJLXZTEWJEAM-UHFFFAOYSA-N

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78478–78498 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