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Molecule Identifiers
Molecular Properties

ID: 134065

SMILES:
C(C)(C)C1CCC(C)=CC1c1c(O)cc(CC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.748

InChIKey:
LLAAZDYTZYGRPH-UHFFFAOYSA-N

ID: 134066

SMILES:
C1(C)(C)C2CC(=O)C(C)=CC1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.739

InChIKey:
ZLBRWBHEXYXOQP-UHFFFAOYSA-N

ID: 134067

SMILES:
C1C23C(CC1)C(C)(Oc1ccc(CCCCC)cc1C2C(C)(C)C)CCC3=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.266

InChIKey:
WXMIYPXBOPPXHH-UHFFFAOYSA-N

ID: 134068

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 134069

SMILES:
OC1CCC2C(O)c3c(O)cc(CCCCC)cc3OC2(C)CC(O)C2C(C)(C)C(C1=C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.666

CB1 binding score: -12.69

InChIKey:
WUEQJDQHMZSBLY-UHFFFAOYSA-N

ID: 134070

SMILES:
C12C(CC(O)C1=C)c1c(cc(CCCC(C)CO)cc1OC)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.393

InChIKey:
ZXGDGQUBBGNLRF-UHFFFAOYSA-N

ID: 134071

SMILES:
c1(N(C)CC=C(C)CCC=C(C)C)c(C(O)=O)c(O)c(C2C(C(=C)C)CCC(C)=C2)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 467.65

CB1 binding score: -14.702

InChIKey:
QAFUWBMAVYNYJZ-UHFFFAOYSA-N

ID: 134072

SMILES:
C12=CCC(C)C1C(=O)c1c(OC)cc(CCCCCCC)cc1OC2C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.842

InChIKey:
HVCLFOPYSPHRDD-UHFFFAOYSA-N

ID: 134073

SMILES:
C(=CCCC(C)=CCc1c(O)cc(CCCCCC(=O)O)cc1O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -18.516

InChIKey:
JRWSUIVRFYQZFO-UHFFFAOYSA-N

ID: 134074

SMILES:
O1C(C)(C)C1Cc1c(O)cc(CCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -15.105

InChIKey:
HTRKMDDDVRCXLO-UHFFFAOYSA-N

ID: 134075

SMILES:
C12Cc3c4c(c(O)cc3C)OC(C)(C)C3CC3C(C(OC)=O)C14C2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.391

CB1 binding score: -16.502

InChIKey:
JBJNQUWZVWJBMF-UHFFFAOYSA-N

ID: 134076

SMILES:
C12(C)CCC3C(C(C)C)CC1C3(C)Oc1c(ccc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.578

CB1 binding score: -15.519

InChIKey:
DEQXQSWONJQYDX-UHFFFAOYSA-N

ID: 134077

SMILES:
C1=C(C)C2C(C(C)(C)Oc3cc(CCCCC)cc(C(=O)OC)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.058

InChIKey:
DFVUNWLBDNYDJE-UHFFFAOYSA-N

ID: 134078

SMILES:
C1=CC(CO)=CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.883

InChIKey:
UHPCEWLXTUJHSB-UHFFFAOYSA-N

ID: 134079

SMILES:
Oc1cc2c(c(O)c1C)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.84

InChIKey:
LEMHOGCTMPDYOF-UHFFFAOYSA-N

ID: 134080

SMILES:
c1(CCCCCCCC)cc(O)c2c(c1)OC(C)(C)c1ccc(C)c-1c(C(=O)C)cc2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.593

CB1 binding score: -14.859

InChIKey:
XWHHHLLIGQGXOE-UHFFFAOYSA-N

ID: 134081

SMILES:
Oc1c(CC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 134082

SMILES:
C1CC(C(O)=O)=C(C(C)CC)C(c2ccc(O)cc2)C1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -12.326

InChIKey:
QYWIZQYFGZZDBZ-UHFFFAOYSA-N

ID: 134083

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.687

InChIKey:
RZHNNKPIBJVHNR-UHFFFAOYSA-N

ID: 134084

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 134085

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

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134065–134085 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