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Molecule Identifiers
Molecular Properties

ID: 39292

SMILES:
c12c(cc(C(C(C=C(C)C)OC(C)=O)O)cc1)OC(C)(C)C1C2C=C(C(=O)O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.498

CB1 binding score: -15.821

InChIKey:
UDMMMQOYPXFGCD-UHFFFAOYSA-N

ID: 39293

SMILES:
C1=C(C)CCC(C(=CC)C)C1c1c(O)cc(C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.735

InChIKey:
WKALQKHSIAMGHU-UHFFFAOYSA-N

ID: 39294

SMILES:
C(CCCc1cc2c(c(O)c1)OC(CCC=C(C)C)(C)C(=O)C2Cc1cc(O)c(O)cc1)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.645

CB1 binding score: -14.503

InChIKey:
OZGMLPHKVLKEOE-UHFFFAOYSA-N

ID: 39295

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCc3c(cc(O)c4ccccc43)C1(C)C2)CCN(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 459.63

CB1 binding score: -16.021

InChIKey:
ILKGROSKWKTISL-UHFFFAOYSA-N

ID: 39296

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 39297

SMILES:
CC1(C)Oc2c(c(O)c(C=O)c(C)c2)C2CCC(C)=CCC21C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.628

InChIKey:
KSYNXNSKXJBIDP-UHFFFAOYSA-N

ID: 39298

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 39299

SMILES:
c1c(CCc2cc(C3C=C(C)CCC3C(=C)C)c(O)cc2)cccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.486

CB1 binding score: -16.777

InChIKey:
BQNJXWGCCZWBSK-UHFFFAOYSA-N

ID: 39300

SMILES:
C(CCCCCc1cc2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -17.041

InChIKey:
HNFZJQFGYQDMBA-UHFFFAOYSA-N

ID: 39301

SMILES:
C(CCCc1ccc2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.189

InChIKey:
AIOSXAOKGBOYPS-UHFFFAOYSA-N

ID: 39302

SMILES:
c1(CCCCC)cc2c(c(O)c1C=O)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -15.855

InChIKey:
UGFUWAKKHLDTRR-UHFFFAOYSA-N

ID: 39303

SMILES:
C1(C)c2c(cc(C)c(O)c2)-c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -16.197

InChIKey:
OHDXBYOMIKYWHS-UHFFFAOYSA-N

ID: 39304

SMILES:
C1C(C)CCC2=C1c1c(O)cc(C)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.552

InChIKey:
WIVRCLNIDINBEF-UHFFFAOYSA-N

ID: 39305

SMILES:
Cc1c(C(O)CC=CC)c(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.889

InChIKey:
OMWBGYXXAWOMEG-UHFFFAOYSA-N

ID: 39306

SMILES:
C(CCCC)c1cc(O)c(C2CC(C)(O)c3c2c(O)c2c(c3O)OC(C)(C)C=C2)cc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.537

CB1 binding score: -15.807

InChIKey:
OFOAOVATVMVVIH-UHFFFAOYSA-N

ID: 39307

SMILES:
Oc1c2c(cc(C)c1)OC(C)(C)c1c2cc(CC)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 268.356

CB1 binding score: -18.632

InChIKey:
PDLNTLBYWHTIKC-UHFFFAOYSA-N

ID: 39308

SMILES:
c1(O)cc(CCCC)cc2c1C1C(CC=C(CO)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -20.193

InChIKey:
JBVDVYKKJWEHPH-UHFFFAOYSA-N

ID: 39309

SMILES:
C1(=O)C=C(C)C2C(Cc3c(O)cc(CCCC)cc3O2)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -15.395

InChIKey:
CPLKQYWTVIAYLN-UHFFFAOYSA-N

ID: 39310

SMILES:
CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(OC)=O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.818

InChIKey:
SXJFYLVUJWCYIH-UHFFFAOYSA-N

ID: 39311

SMILES:
C(C=C(C)C)CC(C)=CCc1cc(O)c(O)c(C(C)(CCCCCC)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.592

CB1 binding score: -15.777

InChIKey:
QHYYOIXNRZAJIK-UHFFFAOYSA-N

ID: 39312

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC[N+](O)C)c(C)c2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 373.537

CB1 binding score: -15.929

InChIKey:
NCOFPPRZZKDHBK-UHFFFAOYSA-N

1869187018711872187318741875
39292–39312 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