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Molecule Identifiers
Molecular Properties

ID: 140218

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.585

InChIKey:
DNTBFILTGOCICF-UHFFFAOYSA-N

ID: 140219

SMILES:
O=C(CCC1C(C)(CCC=C(C)C)Oc2cc(CCCCC)cc(O)c21)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -14.041

InChIKey:
UXIKHNFMIIPFGW-UHFFFAOYSA-N

ID: 140220

SMILES:
C(OC1OC=CC1=Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(C)=CC1)CC(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.661

CB1 binding score: -13.633

InChIKey:
LRVQQMXXKAPMBD-UHFFFAOYSA-N

ID: 140221

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1OC(=O)CCC12)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -14.899

InChIKey:
FUGFZBVVQLGOPC-UHFFFAOYSA-N

ID: 140222

SMILES:
CCCCCc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 140223

SMILES:
C12C3(C)C(O)CC(C(C)(C)O)C(c4c(cc(CCCCC)cc4O)O1)C2(O)C(=O)c1c(cccc1O)O3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.599

CB1 binding score: -15.058

InChIKey:
FPNKADZVQAWPIC-UHFFFAOYSA-N

ID: 140224

SMILES:
OC1Cc2c(cc(CCCCC)cc2O)OC1(C)CC=CC(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.427

InChIKey:
FJKSGWQURGVZRB-UHFFFAOYSA-N

ID: 140225

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -17.786

InChIKey:
KRAAUVWJMATKGE-UHFFFAOYSA-N

ID: 140226

SMILES:
C(C=C(C)C)c1c(O)c(O)c(C(C)C(=O)CCC(C)=CCc2c(O)cc(C)cc2O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.564

CB1 binding score: -14.075

InChIKey:
HHVFKGUTYKMPSK-UHFFFAOYSA-N

ID: 140227

SMILES:
C(CCCC)c1cc2c(C)coc2cc1C2C=C(C)CCC2C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.519

CB1 binding score: -14.605

InChIKey:
ICAFJPSVUKCJMN-UHFFFAOYSA-N

ID: 140228

SMILES:
c12c(CCCCC)cc(O)cc1C1C(C(CCC=C(C)C)(C)O1)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.959

InChIKey:
KEULMLJSWUPSPR-UHFFFAOYSA-N

ID: 140229

SMILES:
OC12C3C(C(C)CCC1C(C)C)(Oc1cc(CCCCC)cc(O)c12)CC=C(C)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -14.96

InChIKey:
COKWOSFXAZHLAM-UHFFFAOYSA-N

ID: 140230

SMILES:
c1(C(O)=C(C)C)ccc2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -14.954

InChIKey:
MHTKJCZIGUZMOJ-UHFFFAOYSA-N

ID: 140231

SMILES:
C1(c2c(O)cc(C(O)CCC)cc2O)C=C(C)CCC1C(CC(=O)C=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.617

InChIKey:
WSNYPIZPANFGNB-UHFFFAOYSA-N

ID: 140232

SMILES:
C12(Cl)CCc3c(O)ccc(O)c3C1c1c(O)cc(C)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.837

CB1 binding score: -16.749

InChIKey:
DNAXJBVODZKPKC-UHFFFAOYSA-N

ID: 140233

SMILES:
C1(CCC=C(C)C)(C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 140234

SMILES:
CC1(C)CCCC23C(c4ccccc4)C(C(CC(C)C)=O)=C2OC(C)(C)C3C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -11.244

InChIKey:
WUUCAJFPBYZKFL-UHFFFAOYSA-N

ID: 140235

SMILES:
c1(CC(O)CC)cc(O)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.251

InChIKey:
IUKQDYGCRBBROX-UHFFFAOYSA-N

ID: 140236

SMILES:
c12c(ccc(CCCCC)c1)C1C(C2(C)C)C(CC)CC1CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.541

CB1 binding score: -17.334

InChIKey:
QTVIDQHWLNWPAB-UHFFFAOYSA-N

ID: 140237

SMILES:
c1(CCCC(C)=C)cc(Cn2cc(COC(=O)CC(C)C)c(C)cc2=O)c2c(c1)OC(C)(C)C1C2CC(COC(CCCCCCCCC)=O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 718.032

CB1 binding score: -15.075

InChIKey:
MAEYLTGFFSBCMW-UHFFFAOYSA-N

ID: 140238

SMILES:
c1(=O)c2c(cc(CCCCC)cc1O)OC(C)(C)C1CC(=O)C(C)CC2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -13.031

InChIKey:
RIKPXRWSOGGPOG-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties