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Molecule Identifiers
Molecular Properties

ID: 86290

SMILES:
O(C(c1cc2c(cc1C)OC(C)(C)C1CCC(C)CC21)=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.615

InChIKey:
GCXZJZVCJGPGFK-UHFFFAOYSA-N

ID: 86291

SMILES:
O(c1cc(CCCCC)cc(O)c1C1CC(C)CCC1C(C)C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.528

CB1 binding score: -18.883

InChIKey:
KKBNGEMFBFEYQN-UHFFFAOYSA-N

ID: 86292

SMILES:
c12c(cc(CCC)cc1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 86293

SMILES:
C1(C)CC(=O)C2C(C)(C)Oc3c(c(O)cc(c3C)C(=O)C(CC)C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.542

InChIKey:
ZCBFPIOKLWPHRX-UHFFFAOYSA-N

ID: 86294

SMILES:
c12c(cc(CCCCC)cc1O)OC(C1(CCOC(=O)C)CC2)OC(CO)C(O)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.517

CB1 binding score: -15.116

InChIKey:
RRRYGXUZAUEGKE-UHFFFAOYSA-N

ID: 86295

SMILES:
C1(C)(C)C(=O)C(C)(C)C2C3(O)c4c(cc(CCCCC)cc4O)OC4(C)C(CC3)C4C1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -14.709

InChIKey:
IHIRLRRYHPKJTI-UHFFFAOYSA-N

ID: 86296

SMILES:
C1(O)(C)CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 86297

SMILES:
C12(C)c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.943

InChIKey:
TUXYVWWGZQJUFK-UHFFFAOYSA-N

ID: 86298

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 86299

SMILES:
C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.471

CB1 binding score: -19.804

InChIKey:
VGBLUPCGCQUYRW-UHFFFAOYSA-N

ID: 86300

SMILES:
C1(=O)C2=C(C=CC1C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -18.557

InChIKey:
DIIWBHAKJHXXOX-UHFFFAOYSA-N

ID: 86301

SMILES:
C(C=C(CCC=C(C)C)C)C1C(C)=CCC2C1(c1c(O)cc(O)cc1C)OC(C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.651

CB1 binding score: -13.6

InChIKey:
PHFWNKUCZGQVAC-UHFFFAOYSA-N

ID: 86302

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.288

InChIKey:
BLOGKDQEFACYOB-UHFFFAOYSA-N

ID: 86303

SMILES:
C12CC(C)=CC(O)C1C(C)(C)Oc1c2ccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -14.337

InChIKey:
CTOWVJMOPWFANU-UHFFFAOYSA-N

ID: 86304

SMILES:
c12cc(CCCCC)cc(O)c1C1=C(C(C)(C)O2)CCC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 86305

SMILES:
c1(CCC(O)=O)c(O)c2c(c(CC=C(C)CCC=C(C)C)c1O)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.634

CB1 binding score: -15.826

InChIKey:
GOSCBIVOICCFGJ-UHFFFAOYSA-N

ID: 86306

SMILES:
c1(CC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.957

InChIKey:
JJBMVXFZSLTKCL-UHFFFAOYSA-N

ID: 86307

SMILES:
C1=C(C(C)C)CCC2(C)Oc3c(c(O)cc(CCCCC)c31)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.497

InChIKey:
RAZLMONJWFRASW-UHFFFAOYSA-N

ID: 86308

SMILES:
COc1cc(C2C(C(C)=C)CCC(C)=C2)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.469

InChIKey:
GRAZENHLNPSWRA-UHFFFAOYSA-N

ID: 86309

SMILES:
C(C1C2(CC=C(C)CC2)C(C(C)C)CC1)C(=O)c1c(O)cc(CCCCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.374

InChIKey:
VTCXMZFFMJUNBP-UHFFFAOYSA-N

ID: 86310

SMILES:
CC(=CCCC(C)=CCc1c(O)cc(CCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

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86290–86310 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