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Molecule Identifiers
Molecular Properties

ID: 75454

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.265

InChIKey:
KTPDAZGMXXWSMU-UHFFFAOYSA-N

ID: 75455

SMILES:
c1c(C(CC(C=C(C)CCC=C(C)C)OC(C)=O)CCCC)cc(O)c(C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -15.437

InChIKey:
WTYYRKNVQPNZNB-UHFFFAOYSA-N

ID: 75456

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(CO)C1)CC(=O)c1cc(O)cc(O)c1C(O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 498.616

CB1 binding score: -16.502

InChIKey:
WLIAUBVKDAXHAA-UHFFFAOYSA-N

ID: 75457

SMILES:
C(c1cc(O)c2c(c1C(C)C)OC(C)(C)C1CCC(C)=CC21)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.348

InChIKey:
PAWUGNYGXZGTMP-UHFFFAOYSA-N

ID: 75458

SMILES:
C1(=O)C2C(C)(CCC(C(C)C)C2(C)CC)Oc2c(c(O)cc(CCCCC)c2)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -13.307

InChIKey:
UOHASONXOZHVIN-UHFFFAOYSA-N

ID: 75459

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 75460

SMILES:
c1(OC)cc(CCCC)cc2c1OC(CCC=C(C)C)(C)C1C2=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.555

InChIKey:
HKMGACHNEGVIFS-UHFFFAOYSA-N

ID: 75461

SMILES:
O1c2c(cc(CCCCC)cc2O)C2C(C)(O2)CCC2C(C(C)=C)CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -16.044

InChIKey:
ATXDDKIRYGHODQ-UHFFFAOYSA-N

ID: 75462

SMILES:
C12C(C)CCC1(C(=C)C)Oc1ccc(CCCCC)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.638

InChIKey:
JMUTWQHHXYNHIX-UHFFFAOYSA-N

ID: 75463

SMILES:
c1(O)c(C(C(C(CCCCCCCC)C)C)C)cc(OC)c2c1OC1(C)C3C(C(C)(C)C3)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.738

CB1 binding score: -13.629

InChIKey:
UIZSBEVTMPQSRC-UHFFFAOYSA-N

ID: 75464

SMILES:
C1(C)(CCC=C(CCC2C(C)(C)O2)C)C=Cc2c(c(C)cc(O)c2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.553

InChIKey:
ACVWHKVJGOVUKG-UHFFFAOYSA-N

ID: 75465

SMILES:
c12c(c(CCCCC)ccc1)OC(C)(C)C1CCC(CO)=CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.334

InChIKey:
FLLGDFXNEGNWPI-UHFFFAOYSA-N

ID: 75466

SMILES:
C(C1(C)OC23C(OC4CC5C(C)(CC(=O)C=C5C)C=C3O4)C(=C)C2CC1O)OC(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.497

CB1 binding score: -15.929

InChIKey:
QYHBAOKHLAVXMW-UHFFFAOYSA-N

ID: 75467

SMILES:
C1C2(C)C(Cc3c(c(C(O)=O)cc(CCCCC)c3)O2)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.194

InChIKey:
PDOOIKFFLCXYQN-UHFFFAOYSA-N

ID: 75468

SMILES:
c12c(ccc(COC(=O)CC(C)(C)CC(=O)O)c1)OC(C)(C)C1C2CC(C)=CCC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -13.972

InChIKey:
FKEUDLVYOMZICZ-UHFFFAOYSA-N

ID: 75469

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 75470

SMILES:
C1c2c(cc(CCCCC)cc2O)OC(C)(C)C1C1OC(CC)(O)C(O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.509

CB1 binding score: -15.065

InChIKey:
UDESGMAWTLQZJP-UHFFFAOYSA-N

ID: 75471

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C2(C)CC=C(C)CCC=C(C)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -14.71

InChIKey:
QVIKROVTXWVJAK-UHFFFAOYSA-N

ID: 75472

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.334

InChIKey:
YCDXQMAIGVRFAO-UHFFFAOYSA-N

ID: 75473

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.652

CB1 binding score: -15.929

InChIKey:
MQLPCDWNIAQWGT-UHFFFAOYSA-N

ID: 75474

SMILES:
Oc1c(C(C(=O)C)C)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.051

InChIKey:
GMJYCCFGUXCDHL-UHFFFAOYSA-N

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75454–75474 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