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Molecule Identifiers
Molecular Properties

ID: 126526

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 126527

SMILES:
C(=C(C)C)C1C(C)(C)C1c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(CO)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.696

CB1 binding score: -12.804

InChIKey:
IOEPTNFHKWMCJD-UHFFFAOYSA-N

ID: 126528

SMILES:
COc1cc(CC=C(C)C)c(O)cc1CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.159

InChIKey:
SNSOBJQITAPANC-UHFFFAOYSA-N

ID: 126529

SMILES:
O(C1C(O)C2C(O)(C(C)C)CCC2(C)Oc2c(c(O)cc(CCCCC)c2)C1)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.573

CB1 binding score: -13.916

InChIKey:
XLRSOUHOXGZWJI-UHFFFAOYSA-N

ID: 126530

SMILES:
c1c(CCCCC)cc2c(c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.438

CB1 binding score: -16.502

InChIKey:
QWCMGHBKJWEFFY-UHFFFAOYSA-N

ID: 126531

SMILES:
c1(O)c(CC=C(C)CO)c2c(c(CC=C(C)C)c1)C1CC(=C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.689

InChIKey:
LXJYNJFWMABCBY-UHFFFAOYSA-N

ID: 126532

SMILES:
C(=C(C)C)CCC(C)=CCc1c(O)cc(CCCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.784

InChIKey:
QPUHYZGLKQWEKI-UHFFFAOYSA-N

ID: 126533

SMILES:
CC(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 126534

SMILES:
O1c2c(c(O)c(C(=O)O)c(CCCCC)c2)C(C(C)C)C1(C)CCCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -14.33

InChIKey:
NCJXOYVFGNJVDH-UHFFFAOYSA-N

ID: 126535

SMILES:
O1c2cc(CCC)cc(O)c2C2OC12C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 206.241

CB1 binding score: -16.005

InChIKey:
PEAWRLQIXXBJKF-UHFFFAOYSA-N

ID: 126536

SMILES:
c1(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 126537

SMILES:
C(Cc1cc(O)c(CC=C(C)C)c(O)c1)CCCC1CCCCC1CCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.647

CB1 binding score: -13.525

InChIKey:
FRFCOOIZBUCJSM-UHFFFAOYSA-N

ID: 126538

SMILES:
C1(OC)(CC(C)=CCC2OC(=O)C=C(CCc3cc(OC)c(O)c(OC)c3)C2C)CC=C(C)C(O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 500.632

CB1 binding score: -15.875

InChIKey:
TWQOIJSHJOMSSV-UHFFFAOYSA-N

ID: 126539

SMILES:
OC1(C)CC2C3C(C)(C)Oc4cc(C)cc(O)c4C2C13

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: Not available

InChIKey:
CXRVFADNZLGILK-UHFFFAOYSA-N

ID: 126540

SMILES:
c1c(COC)ccc(O)c1C1C(C(C)=C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.642

InChIKey:
OYHCILTZSFZQHP-UHFFFAOYSA-N

ID: 126541

SMILES:
Oc1c2c(cc(CCC)c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 126542

SMILES:
O1C(=O)C(C)=C(C)CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.469

InChIKey:
QBKWTVQMDAYQEO-UHFFFAOYSA-N

ID: 126543

SMILES:
c1(OC)c(OC)c(O)cc2c1-c1c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc(CCc3ccccc3)c1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 610.835

CB1 binding score: -14.558

InChIKey:
OKHNWIINPVAVDI-UHFFFAOYSA-N

ID: 126544

SMILES:
Oc1c(CCCCC)cc2c(c1)OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.518

InChIKey:
RKWVJLADBILOBU-UHFFFAOYSA-N

ID: 126545

SMILES:
C1(C)(C)CC2C(=C(C)C(O)C1)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.124

InChIKey:
TYACRXXEILRSMJ-UHFFFAOYSA-N

ID: 126546

SMILES:
c1(C)cc(OC)c(C)cc1OC1(C)C(CC=C(C)C)C(=O)C2C1(C)CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.198

InChIKey:
ANOFNEWUNFXOJB-UHFFFAOYSA-N

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126526–126546 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