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Molecule Identifiers
Molecular Properties

ID: 136501

SMILES:
CC12CCC(C1(C)C)C(CC(=CCc1c(O)c(C)cc(OC)c1)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.047

InChIKey:
LDLJOOPUCOFQOQ-UHFFFAOYSA-N

ID: 136502

SMILES:
c12c(C)cc(O)cc1Oc1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -13.203

InChIKey:
HMALIVQAKGTSTR-UHFFFAOYSA-N

ID: 136503

SMILES:
C(CC(C)CCC1(C)CCc2cc(OC)cc(C)c2O1)Cc1ccc(C(O)=O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -13.358

InChIKey:
XCOKDTWWOSQVCD-UHFFFAOYSA-N

ID: 136504

SMILES:
C1(C)=CC(c2c(O)cc(O)cc2CCCCC)C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.593

InChIKey:
RHRYIQNXICLAPT-UHFFFAOYSA-N

ID: 136505

SMILES:
C1C2C(C(C)(C)Oc3ccc(cc3)C2)C1(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.323

CB1 binding score: Not available

InChIKey:
LZTTWBFZTJQSFM-UHFFFAOYSA-N

ID: 136506

SMILES:
C(C)(C)C1CCC(C)=CC1c2c(O)cc(CCCCC)cc2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.957

InChIKey:
XFYKOYWZVVGAEV-UHFFFAOYSA-N

ID: 136507

SMILES:
c12cc(CCCCC)cc(OC)c1C1C(=O)CC23C1(C)CCC(C(=C)C)C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -16.516

InChIKey:
JKOQCJYUABDYOE-UHFFFAOYSA-N

ID: 136508

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 136509

SMILES:
O1c2cc(C)cc(O)c2C2C=C(C)CCC2C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -17.527

InChIKey:
FMJNAKPTTHESLW-UHFFFAOYSA-N

ID: 136510

SMILES:
C(c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)CC(C)(C=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -16.222

InChIKey:
IZHMOOJNLCGZLJ-UHFFFAOYSA-N

ID: 136511

SMILES:
C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 136512

SMILES:
Oc1cc(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -17.351

InChIKey:
SQRVZRBFCFPASS-UHFFFAOYSA-N

ID: 136513

SMILES:
C1(C(=O)C(C)C)C2(C)C(C)(C)CCC2c2c1cc(CCCCC)cc2OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.352

InChIKey:
VQBVADZTWXYWJV-UHFFFAOYSA-N

ID: 136514

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 136515

SMILES:
C=C(C)C1C(c2cc(CCCCC)c(CC=C(C)C)cc2)C=C(C)C(=O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.573

CB1 binding score: -14.525

InChIKey:
XIGHVOCBDZSUEY-UHFFFAOYSA-N

ID: 136516

SMILES:
C(c1cc(O)cc2c1OC1(C)C2=CC(C(C)(O)C)CC1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.75

InChIKey:
WQLNYAWALKHHQL-UHFFFAOYSA-N

ID: 136517

SMILES:
C(C)(C)=CC(CC(C)=CCc1c(O)c2c(cc1O)C(O)c1c(cc(CCCCC)cc1O)OC2(C)C)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.698

CB1 binding score: -13.633

InChIKey:
WDEJGKKHUXWIEQ-UHFFFAOYSA-N

ID: 136518

SMILES:
c1(OC)cc(C)c2c(c1)C(C)(C)Oc1c-2cc(CCC(=O)C(C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -16.475

InChIKey:
HXSBJKKNQKLGFE-UHFFFAOYSA-N

ID: 136519

SMILES:
c1(O)cc(CCCC)cc2c1C1C(CC=C(CO)C1)C(CC=CC(C)(OO)C)(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -14.413

InChIKey:
PKLBAXHNXPZFCV-UHFFFAOYSA-N

ID: 136520

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(CO)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 136521

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties