manool
CHEBI:76945
·resolve ·ANTIBACTERIAL
·EXACT
SEEDED
A labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 14 and carries an R-hydroxy group at position 13. — ChEBI
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C20H34O |
|---|
| Charge | 0 |
|---|
| Average mass | 290.491 Da |
|---|
| Monoisotopic mass | 290.26097 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | CECREIRZLPLYDM-QGZVKYPTSA-N |
|---|
SMILES
[H][C@]1(CC[C@@](C)(O)C=C)C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C
InChI
InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19-,20+/m0/s1
Also called
- (3R)-3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-1-en-3-ol (EXACT_SYNONYM)— chebi
- (+)-manool (EXACT_SYNONYM)— chebi
- (13R)-Labda-8(20),14-dien-13-ol (EXACT_SYNONYM)— chebi
- (13R)-labda-8(27),14-dien-13-ol (EXACT_SYNONYM)— chebi
- (13R)-manool (EXACT_SYNONYM)— chebi
- (5S,9S,10S,13R)-labda-8(17),14-dien-13-ol (EXACT_SYNONYM)— chebi
- labda-8(17),14-dien-13(R)-ol (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:596-85-0
- metacyc.compound:CPD-14028
- patent:WO2011123948
- reaxys:5273610
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:76945 |
manool |
antibioticmech:chebi-ab53a7fbea |
2026-08-30 |
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.