| Phytochemical Name : delta(9)-Tetrahydrocannabinolic acid |
| PCNDIDD0053 |
| Pubchem CID : 98523 |
| Molecular formula: C22H30O4 |
| Canonical SMILES : CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)O)O |
Synonymes : 9-Carboxy-thc|delta(9)-Tetrahydrocannabinolic acid|23978-85-0|9-Carboxy-delta(9)-thc|Thc-9-cooh|THCA-A|Delta9-tetrahydrocannabinolic acid|CHEBI:67078|UNII-EJ6CZV0K5Y|EJ6CZV0K5Y|(6ar,10ar)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6h-benzo[c]chromene-2-carboxylic acid|6H-Dibenzo(b,d)pyran-2-carboxylic acid, 6a,7,8,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)-|DTXSID30178701|delta9-tetrahydrocannabinolic acid A|(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid|DELTA-9-TETRAHYDROCANNABINOLIC ACID A|6H-Dibenzo(b,d)pyran-2-carboxylic acid, 6abeta,7,8,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-|Delta9-tetrahydrocannabinolate|THCA-A compound|6H-DIBENZO(B,D)PYRAN-2-CARBOXYLIC ACID, 6A,7,8,10A-TETRAHYDRO-1-HYDROXY-6,6,9-TRIMETHYL-3-PENTYL-, (6AR-TRANS)-|Delta-9-Tetrahydrocannabinolic acid|(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo(c)chromene-2-carboxylic acid|6H-Dibenzo[b,d]pyran-2-carboxylic acid, 6a,7,8,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-|CHEMBL465718|SCHEMBL6856735|GTPL11091|DTXCID50101192|delta 9-Tetrahydrocannabinolic Acid A (THCA-A) 1000 microg/mL in Acetonitrile|6H-Dibenzo[b,d]pyran-2-carboxylic acid, 6a.beta.,7,8,10a.alpha.-tetrahydro-1-hydroxy-6,6,9-trimethyl-3-pentyl-|BDBM50532210|.DELTA.9-TETRAHYDROCANNABINOLIC ACID|C21903|delta9-TETRAHYDROCANNABINOLCARBOXYLIC ACID|(-)-delta9-TRANS-TETRAHYDROCANNABINOLIC ACID|.DELTA.9-TETRAHYDROCANNABINOLCARBOXYLIC ACID|Q7706541|DELTA(9)-TETRAHYDROCANNABINOLIC ACID [WHO-DD]|(-)-.DELTA.9-TRANS-TETRAHYDROCANNABINOLIC ACID|Delta9-Tetrahydrocannabinolic acid A, analytical standard|Delta9-Tetrahydrocannabinolic acid 250 microg/mL in Acetonitrile|(6ar,10ar)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo [c]chromene-2-carboxylic acid |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.930 |
| Log Po/w (XLOGP3) : 1.390 |
| Log Po/w (WLOGP) : 1.540 |
| Log Po/w (MLOGP) : 1.270 |
| Log Po/w (SILICOS-IT) : 1.730 |
| Consensus Log Po/w : 1.570 |

