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Molecule Identifiers
Molecular Properties

ID: 103426

SMILES:
C(c1ccc2c(c1)OC(C)(C)C1CC(O)C(C)=CC12)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.526

InChIKey:
LEFZPMVQPOJINW-UHFFFAOYSA-N

ID: 103427

SMILES:
c1(C)c(C2C=C(C)CCC2C(C)C)c(O)cc(CC=C(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.257

InChIKey:
XIQICOLLPOIWQO-UHFFFAOYSA-N

ID: 103428

SMILES:
C1=CC(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 103429

SMILES:
C(C(C)C)CCc1cc2c(c(O)c1)C1CC(CCC=C(C)C)=CCC1(C)CC2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -15.584

InChIKey:
MHYWRPDHQPKLFO-UHFFFAOYSA-N

ID: 103430

SMILES:
Oc1cc(C)ccc1C1C(c2c(O)cc(CCCCC)cc2O)OC(C)(C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -16.293

InChIKey:
BGOBAZQJWUTIRX-UHFFFAOYSA-N

ID: 103431

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)c(C)c1)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 314.513

CB1 binding score: -18.294

InChIKey:
UTTIVQXRCTUEBD-UHFFFAOYSA-N

ID: 103432

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)(C(C)C)CCC(=CC(OC)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.694

CB1 binding score: -15.288

InChIKey:
OISFKHISAQRUGF-UHFFFAOYSA-N

ID: 103433

SMILES:
c1(C)cc(C2C(C(C)=C)CCC(C)=C2)c(O)c(C=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.393

InChIKey:
AIRPHLYQAUZBJA-UHFFFAOYSA-N

ID: 103434

SMILES:
C1(C)=CC2c3c(ccc(CCCC)c3)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -16.516

InChIKey:
CYMMOBHFKGEXRH-UHFFFAOYSA-N

ID: 103435

SMILES:
OC(C(O)(C)C)CCC(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.499

CB1 binding score: -18.15

InChIKey:
OWSPBIWYEIHDKZ-UHFFFAOYSA-N

ID: 103436

SMILES:
CC1(C)C(CCC(C)=CC2c3c(O)cc(CCCCC)cc3OC2(C)C)C(=O)OC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -14.84

InChIKey:
DPZQLPQWHKPUTA-UHFFFAOYSA-N

ID: 103437

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C=CC(C)(O)C(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.544

InChIKey:
IGOCRTXRPJLDBV-UHFFFAOYSA-N

ID: 103438

SMILES:
Oc1c2c(c(O)cc1CC=C(C)CCC=C(C)C)C1=CC(C)(OO)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -18.251

InChIKey:
ZFBUEYRGJADHQL-UHFFFAOYSA-N

ID: 103439

SMILES:
CC(COC1CC2(C)Oc3c(c(O)cc(C)c3)C3C(C2(O)C1C)O3)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -15.929

InChIKey:
VKCBJKLCEHQJIM-UHFFFAOYSA-N

ID: 103440

SMILES:
CC12c3c(OC)cc(CCCCC)cc3OC(C)(C)C1CCC(C(=O)O)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.419

InChIKey:
LMNKFCBFFDZYPZ-UHFFFAOYSA-N

ID: 103441

SMILES:
c1ccc(C(=O)OC(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -13.34

InChIKey:
PKGSHYOZOSEUET-UHFFFAOYSA-N

ID: 103442

SMILES:
C(CCCc1ccc2c(c1)C1C(CC=C(C)C1)C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.648

InChIKey:
RJGMZYFWPVWEKE-UHFFFAOYSA-N

ID: 103443

SMILES:
c1(O)c2c(c(O)c(OCC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -15.116

InChIKey:
YZPLHTQGTKDJHG-UHFFFAOYSA-N

ID: 103444

SMILES:
CC1(C)C2CCC(C)(OC)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.024

InChIKey:
MVRKTZAGCVMDGH-UHFFFAOYSA-N

ID: 103445

SMILES:
C1CC(C)=CC2C1C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 103446

SMILES:
C(CCc1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1C2CC(C)C=C1)C(CCCCCCCCCCC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.731

CB1 binding score: -14.248

InChIKey:
QOIYBZXBOBWCSM-UHFFFAOYSA-N

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103426–103446 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