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Molecule Identifiers
Molecular Properties

ID: 129781

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -13.842

InChIKey:
VVNYCHVSKFDXQQ-UHFFFAOYSA-N

ID: 129782

SMILES:
CC1(C)C2=C(OC)C(=O)c3c(O)cc(CCCCC)cc3OC2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.612

InChIKey:
BZMIWRKTXXPHIS-UHFFFAOYSA-N

ID: 129783

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 129784

SMILES:
C1(CO)(C)C2CC(=O)C(C)=CC2c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -13.194

InChIKey:
WMZRBXXAGCHAAB-UHFFFAOYSA-N

ID: 129785

SMILES:
c1(O)c2c(cc(CO)c1)OC(C)(CCC=C(CC1CC(C)C(=O)O1)C)C2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -13.306

InChIKey:
XPGNZWDRGKVQFS-UHFFFAOYSA-N

ID: 129786

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -18.006

InChIKey:
SUFPQJMELBBUPW-UHFFFAOYSA-N

ID: 129787

SMILES:
C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129788

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.579

InChIKey:
CJLAIIYOHPCHDP-UHFFFAOYSA-N

ID: 129789

SMILES:
c1(CC2OC(=O)C(=C)C2C(O)C=C(C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -15.418

InChIKey:
UAWYNNLKYIKGBN-UHFFFAOYSA-N

ID: 129790

SMILES:
COc1c(C2C(C(O)(C)C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -16.918

InChIKey:
SGWBYCBDWYLPOP-UHFFFAOYSA-N

ID: 129791

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 280.364

CB1 binding score: -18.858

InChIKey:
FCEJYUOQVZGCIK-UHFFFAOYSA-N

ID: 129792

SMILES:
c1(C(C)C)cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.446

InChIKey:
UASMOCXOIVBAAJ-UHFFFAOYSA-N

ID: 129793

SMILES:
O1C2(CO)c3c(O)cc(CCCCC)cc3OC(C)(C2)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -12.389

InChIKey:
RGKOVXWOXRYEOG-UHFFFAOYSA-N

ID: 129794

SMILES:
C1=C(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 129795

SMILES:
c1(OC)c(OC)c(C)c2c(c1)OC(C)(C)C1CCC(COC)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.334

InChIKey:
JCJJGXPNMQSJQI-UHFFFAOYSA-N

ID: 129796

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: 129797

SMILES:
C1(CC(=CCc2c(O)c(C)cc(OC)c2)C)CCC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.06

InChIKey:
XXVUSJDJVSPLLW-UHFFFAOYSA-N

ID: 129798

SMILES:
C1(=O)C(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -18.334

InChIKey:
HJLDQSFDBVFHQA-UHFFFAOYSA-N

ID: 129799

SMILES:
c1c(O)cc(Cl)c2c1-c1c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(=C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 441.011

CB1 binding score: -16.943

InChIKey:
RTFXXIVCAGMTOD-UHFFFAOYSA-N

ID: 129800

SMILES:
Oc1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.388

InChIKey:
XRSKTHYTMPGBSV-UHFFFAOYSA-N

ID: 129801

SMILES:
C(c1c(O)c(C=O)c(O)c(C2C=C(C)CCC2C(=C)C)c1)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.491

InChIKey:
SZLIGZDYQPISNL-UHFFFAOYSA-N

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129781–129801 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