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Molecule Identifiers
Molecular Properties

ID: 40468

SMILES:
C12=C(C(=O)C(C)C1)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -13.434

InChIKey:
VUHYCZLHLPYUFF-UHFFFAOYSA-N

ID: 40469

SMILES:
c1c(O)c2c(cc1CCCCC)OC1C2(C)CC2C(C)(CCC2C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.306

InChIKey:
LORPIYOFXLTHMY-UHFFFAOYSA-N

ID: 40470

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.488

InChIKey:
SHKSNSDRGOBIPR-UHFFFAOYSA-N

ID: 40471

SMILES:
C(C1=Cc2c(c(C)cc(O)c2C=O)CC1C)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: Not available

InChIKey:
PCFJDRDVLXQLDT-UHFFFAOYSA-N

ID: 40472

SMILES:
O=C(OC1CC(C)(O)C2C1c1c(O)cc(CC(O)CC=C)cc1OC(C)(C)C1C2C=C(C)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.606

CB1 binding score: -16.005

InChIKey:
ICFICEOERXPABY-UHFFFAOYSA-N

ID: 40473

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCCC)cc(O)c2C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -15.181

InChIKey:
YBCWIRMOJUBFBM-UHFFFAOYSA-N

ID: 40474

SMILES:
c1(CCCCC)c2c3c(cc(O)c(C(CC(C)C)=O)c3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -12.975

InChIKey:
FUPVUKHHSIYZMM-UHFFFAOYSA-N

ID: 40475

SMILES:
C=C(C)C(c1c(O)c(O)c2c(c1)C1C(C(C)(C)O2)CC=C(C)C1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.439

InChIKey:
XBIIDPORJICFQX-UHFFFAOYSA-N

ID: 40476

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCCC)cc2O)CC(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.636

InChIKey:
BAMKAFLPUGROIY-UHFFFAOYSA-N

ID: 40477

SMILES:
O(C(=O)Cc1c(NC)cccc1)c1cc(OC)c2c(c1C)OC(CCC=C(C)C)(C)C1C2CC(C)=CCCC1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 561.763

CB1 binding score: Not available

InChIKey:
BCUKYOLBNKBDOX-UHFFFAOYSA-N

ID: 40478

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 40479

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 40480

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 40481

SMILES:
c1(CCCCC)cc2c(c3c1ccc(C)c3)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.557

CB1 binding score: -13.93

InChIKey:
PMUOQCLFHNZTQM-UHFFFAOYSA-N

ID: 40482

SMILES:
c1(C2(O)CCC(CCC=C(C)C)=CC3c4c(cc(O)c5c4C=CC(C)(C)O5)OC(C)(C)C3C2)ccccc1N=C(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 571.758

CB1 binding score: -15.416

InChIKey:
DVTCNEFGNGGXCR-UHFFFAOYSA-N

ID: 40483

SMILES:
C1C(C)(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C=O)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -12.737

InChIKey:
OOIUHANQONQPNO-UHFFFAOYSA-N

ID: 40484

SMILES:
Cc1cc(O)c2c(c1)OC(C)(C)C1(O)C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -17.123

InChIKey:
SFKYRZCFJIMJCT-UHFFFAOYSA-N

ID: 40485

SMILES:
O(C)c1c(Cl)c2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.832

CB1 binding score: -18.287

InChIKey:
HRNNANXTQZLNTP-UHFFFAOYSA-N

ID: 40486

SMILES:
c1(CCC)cc(OC)c(C2C=C(C(OC)=O)CCC2C(=C)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.849

InChIKey:
PFSVXQCZRVYYFU-UHFFFAOYSA-N

ID: 40487

SMILES:
CC(C1CCC(C)C2C(C)(C)Oc3c(c(O)c(C(CCC)=O)c(CCCCC)c3)C21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.657

CB1 binding score: -11.846

InChIKey:
NUOHDYQGZAKSGX-UHFFFAOYSA-N

ID: 40488

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C(CCC1=C)O)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.417

InChIKey:
UEVQQGUDIOWVEI-UHFFFAOYSA-N

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40468–40488 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