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Molecule Identifiers
Molecular Properties

ID: 74068

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.687

InChIKey:
RGXKCMQANRHRCO-UHFFFAOYSA-N

ID: 74069

SMILES:
C12(C)C(=C)C3(CC1C2)c1c(cc(CCCCC)cc1O)OC3(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.341

InChIKey:
CKKZOJUPPVZXHP-UHFFFAOYSA-N

ID: 74070

SMILES:
C(CC(C)CC(CCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C=C(C)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.734

CB1 binding score: -13.69

InChIKey:
LCWWHIDKJDYASS-UHFFFAOYSA-N

ID: 74071

SMILES:
Oc1cc(CCC)cc(O)c1C=CC(CCC=C(C)C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.682

InChIKey:
CNZYSYQHEUYYIM-UHFFFAOYSA-N

ID: 74072

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(CCC=C(C)CCC=C(CO)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -18.228

InChIKey:
SAWNNGMERXUILP-UHFFFAOYSA-N

ID: 74073

SMILES:
C1C=C(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 74074

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 74075

SMILES:
CC1=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.046

InChIKey:
MXECOWWPQRFPTG-UHFFFAOYSA-N

ID: 74076

SMILES:
C1C(C)C=C2C(C1)C(C)(C)Oc1cc(CCCCC)c(C(OC)=O)c(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.583

InChIKey:
KJNVTUGXTLYIRB-UHFFFAOYSA-N

ID: 74077

SMILES:
c1(O)ccc2c(cc3c(c2)C(C)(C)Oc2cc(CCCCC)cc(OC)c32)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.496

CB1 binding score: -15.98

InChIKey:
CHEKBRJTSLTKPZ-UHFFFAOYSA-N

ID: 74078

SMILES:
c1(C2C=C(C)CCC2C(=C)C)ccccc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.382

InChIKey:
PIWOIVDTYQHIGV-UHFFFAOYSA-N

ID: 74079

SMILES:
CC(=CCCC(C1C2C(C)(CC1)Oc1c(c(O)cc(CCCCC)c1O)C2)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -15.087

InChIKey:
QMWXWOVIGZGKQY-UHFFFAOYSA-N

ID: 74080

SMILES:
C1C(C)(CCC=C(C)C(=O)O)C2c3c(cc(CCCCC)cc3O)OC1CC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -13.691

InChIKey:
BEVSIOMGCYTMOX-UHFFFAOYSA-N

ID: 74081

SMILES:
c1(CCCCC)cc2c(c(O)c1C=O)OC1(C)CCC(C(C)=C)C3CC1C3C2OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -16.604

InChIKey:
VDFXVJCDOPIOQO-UHFFFAOYSA-N

ID: 74082

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.186

InChIKey:
KQQMZTULVOWZJR-UHFFFAOYSA-N

ID: 74083

SMILES:
OC(c1c2c(c(O)c(C(C=C)(C)C)c1)OC(C)(C)C1CCC(C)=CC12)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.561

InChIKey:
SOPURSOTMKLILD-UHFFFAOYSA-N

ID: 74084

SMILES:
c1(C(=O)C(CC)C)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.393

InChIKey:
QOGIZIKVPXCHSX-UHFFFAOYSA-N

ID: 74085

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.516

InChIKey:
YOOCUYMYGYJRJM-UHFFFAOYSA-N

ID: 74086

SMILES:
CC1=CCC(C(C)=C)C(O)c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.519

InChIKey:
NCDAVSDQQHGUBC-UHFFFAOYSA-N

ID: 74087

SMILES:
C1CC(C)=C(CC(CCC=C(C)CCCc2ccccc2)C)C(O)=C1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.654

CB1 binding score: -14.294

InChIKey:
QSEZHEXGLQHZGU-UHFFFAOYSA-N

ID: 74088

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.875

InChIKey:
MABLLFKQVKWWPG-UHFFFAOYSA-N

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74068–74088 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