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Molecule Identifiers
Molecular Properties

ID: 103573

SMILES:
c1(O)cc(CCc2cc(O)cc(O)c2C2C(C(C)=C)CCC(C)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -13.307

InChIKey:
BIUUZXNTJDHMRC-UHFFFAOYSA-N

ID: 103574

SMILES:
C1(O)C(C)=CC(c2c(C)cc(O)cc2O)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.426

InChIKey:
JZTQONYDCMQOBH-UHFFFAOYSA-N

ID: 103575

SMILES:
C1(C)(C)C(=O)CCC2(C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.929

InChIKey:
GUZLHUHFPYBGJX-UHFFFAOYSA-N

ID: 103576

SMILES:
CC(=CCc1c(O)c(C(O)=O)c(CCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 103577

SMILES:
C1=C(C)CC2c3c(cc(C)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.619

InChIKey:
MMZAEMNNHWYQKW-UHFFFAOYSA-N

ID: 103578

SMILES:
c1(CC=C(C)C)cc(C(=O)O)c(C2C=C(C)CCC2C(C)=C)c(O)c1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -15.431

InChIKey:
RJLIUQNIJQJLLR-UHFFFAOYSA-N

ID: 103579

SMILES:
C1=CC(C(O)=O)(O)C2C1c1c(O)cc(CCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -12.417

InChIKey:
MVXDWUGOFJHPOV-UHFFFAOYSA-N

ID: 103580

SMILES:
C(COC)Oc1c(CCCO)cc2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.239

InChIKey:
CKSSTAYSUVGFPG-UHFFFAOYSA-N

ID: 103581

SMILES:
C(=O)(c1cc2c(c(O)c1O)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.502

InChIKey:
IWVBKPZLUYPUSI-UHFFFAOYSA-N

ID: 103582

SMILES:
C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 103583

SMILES:
C(=CCC)Cc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.578

InChIKey:
HCBWHCNICFCMAD-UHFFFAOYSA-N

ID: 103584

SMILES:
C12C(C)(C)Oc3cc(C)cc(O)c3C1CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.619

InChIKey:
MMZAEMNNHWYQKW-UHFFFAOYSA-N

ID: 103585

SMILES:
C12C=C(C)CCC1C(C)(C)Oc1c2ccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.912

InChIKey:
JKUWZILTAIFPQY-UHFFFAOYSA-N

ID: 103586

SMILES:
C1C(C(=CC=CC(C)(O)C)C)CC=C(C)C1Cc1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.242

InChIKey:
XJMCRSHMJNKOND-UHFFFAOYSA-N

ID: 103587

SMILES:
O1C(C)(C)C2CCC(C)=CC3C(=C(C)CC4C3(C(O)(OC2=O)C1)O4)CCC1(C)OC1c1cccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.627

CB1 binding score: -15.346

InChIKey:
ZTYKHTSMQRCEOD-UHFFFAOYSA-N

ID: 103588

SMILES:
C(Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(OC)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.172

InChIKey:
ZLMHDSKDPRIBDQ-UHFFFAOYSA-N

ID: 103589

SMILES:
C1(C)(C)Oc2c(cc(O)c(C)c2)C2CC(C)=CCCC(C)=CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.491

InChIKey:
LNVIIZOHTYQGJJ-UHFFFAOYSA-N

ID: 103590

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -11.486

InChIKey:
VIIHIVGTPRJWCW-UHFFFAOYSA-N

ID: 103591

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -17.321

InChIKey:
CMBFQSLUVVLKBC-UHFFFAOYSA-N

ID: 103592

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 103593

SMILES:
C1C(O)C(C)(C)Oc2cc(CCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -19.121

InChIKey:
CVXVLENENUQXCN-UHFFFAOYSA-N

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103573–103593 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