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Molecule Identifiers
Molecular Properties

ID: 36226

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.964

InChIKey:
NVOPEPXNFPWHIE-UHFFFAOYSA-N

ID: 36227

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.015

InChIKey:
CZSVXKPXKZPOIV-UHFFFAOYSA-N

ID: 36228

SMILES:
C1(c2c(OC)cc(O)c(C(=O)CCCCC)c2)C=C(COC(=O)CCCCCCCC=CCCCC)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 580.85

CB1 binding score: -16.265

InChIKey:
DDUSVGYKOGQHHK-UHFFFAOYSA-N

ID: 36229

SMILES:
OC(=O)c1c(CCO)cc2c(c1O)CC1C(C(C)(C)O2)CC=C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -14.383

InChIKey:
NKHUXMSNJWGTKZ-UHFFFAOYSA-N

ID: 36230

SMILES:
c1(OC)cc(CCCC)c2c(c1O)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.848

InChIKey:
HHDNRSDROIAIMJ-UHFFFAOYSA-N

ID: 36231

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C3C(C)(O2)CCC1C(C)(C)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.963

InChIKey:
PPIRCRUMVGQRAF-UHFFFAOYSA-N

ID: 36232

SMILES:
C(c1cc(O)c2c(c1)OC(CCC1=C(C)CCC(O)C1(C)C)(C)CC2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -12.13

InChIKey:
JQPNMRLIIQNPNV-UHFFFAOYSA-N

ID: 36233

SMILES:
O(CCc1cc(O)cc(CC=C(CCC=C(C)C)C)c1)C(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.338

InChIKey:
TWXDLPBTJMAXCC-UHFFFAOYSA-N

ID: 36234

SMILES:
C1C(C)(CCC2(C(C=O)=C)OC2)Oc2c(c(O)cc(CCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.648

InChIKey:
ZDFQYVAUUXYSDA-UHFFFAOYSA-N

ID: 36235

SMILES:
C12CC(C)C(O)CC1C(C)(C)Oc1cc(CCCCC)cc(OC(C)=O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.538

InChIKey:
WSCOEKCOSIOVCN-UHFFFAOYSA-N

ID: 36236

SMILES:
C(=C(C)C)CC1Oc2c(c(O)cc(CCCCC)c2)OC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -10.318

InChIKey:
PGKMSNMYNQLHOV-UHFFFAOYSA-N

ID: 36237

SMILES:
C12C(C)(C)Oc3c(c(O)cc(C)c3)C1C=C(C(O)=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -17.944

InChIKey:
GITSDXGASNCATJ-UHFFFAOYSA-N

ID: 36238

SMILES:
C1(=C)C2=C(C)Oc3c(c(OC)cc(CCCCC)c3)C2C(C(=C)C)CC1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -17.346

InChIKey:
GBADBCXOSNLQIV-UHFFFAOYSA-N

ID: 36239

SMILES:
Oc1cc(O)c2c(c1C)OC(CCC=C(C)CCC=C(C)C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -15.914

InChIKey:
MOPIHIFSBOLEFW-UHFFFAOYSA-N

ID: 36240

SMILES:
C1C2C(=C(C)C1)C1c3c(O)cc(CCCC)cc3OC(C)(C)C1CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.53

InChIKey:
XHTHIEIIHITRFQ-UHFFFAOYSA-N

ID: 36241

SMILES:
c12c3c(cc(C)c1C(OC(C)C)CC(OC)C2=O)OC(C)(C)C1C3C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -14.605

InChIKey:
QROQZLHPOLBGBJ-UHFFFAOYSA-N

ID: 36242

SMILES:
C(CC)CCCc1c(C(=O)OCC)c(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -13.939

InChIKey:
VWSZFDJTSKXLPK-UHFFFAOYSA-N

ID: 36243

SMILES:
C(c1cc(O)c2c(c1)OC(C=CC(=C)C)C1(O)C(C=C(CO)C2)C1(C)C)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -14.511

InChIKey:
ZRYCGXAXWYCTAH-UHFFFAOYSA-N

ID: 36244

SMILES:
C(CCC=C(C)C)(C)=CCc1cc(O)c(C)cc1OC(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -19.332

InChIKey:
HAXRQCRJABYNJC-UHFFFAOYSA-N

ID: 36245

SMILES:
CCCCCc1cc(OC)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.823

InChIKey:
GRLARWXSTOXAGR-UHFFFAOYSA-N

ID: 36246

SMILES:
C=C(C1CC(C)=CC(c2ccc(CCCCC)cc2)C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.471

CB1 binding score: -16.111

InChIKey:
GXXVJPZWPPOPJI-UHFFFAOYSA-N

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36226–36246 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